comp_id,atom_id,count,min,max,avg,std
02I,H1',1,6.320,6.320,6.320,
02I,H12',1,2.313,2.313,2.313,
02I,H2,1,7.712,7.712,7.712,
02I,H22',1,2.464,2.464,2.464,
02I,H3',1,4.827,4.827,4.827,
02I,H4',1,5.239,5.239,5.239,
02I,H5',1,5.688,5.688,5.688,
0A1,CD1,3,135.192,135.481,135.329,0.145
0A1,CD2,3,135.192,135.481,135.329,0.145
0A1,CE1,3,118.285,118.714,118.480,0.217
0A1,CE2,3,118.285,118.714,118.480,0.217
0A1,CM,3,59.823,59.877,59.858,0.030
0A1,HA,3,4.185,4.591,4.402,0.204
0A1,HBC1,3,3.035,3.321,3.192,0.145
0A1,HBC2,3,3.085,3.256,3.178,0.086
0A1,HD1,3,7.112,7.254,7.205,0.081
0A1,HD2,3,7.111,7.253,7.204,0.081
0A1,HE1,3,6.716,6.912,6.812,0.098
0A1,HE2,3,6.717,6.912,6.812,0.098
0A1,HMC1,3,3.768,3.815,3.795,0.024
0A1,HMC2,3,3.768,3.815,3.795,0.024
0A1,HMC3,3,3.768,3.815,3.795,0.024
0A1,N,3,118.290,120.599,119.427,1.155
0D8,H14,1,3.987,3.987,3.987,
0D8,H24,1,3.682,3.682,3.682,
0D8,H89,1,1.936,1.936,1.936,
0D8,H99,1,1.936,1.936,1.936,
0D8,HA21,1,3.056,3.056,3.056,
0D8,HA3,1,3.056,3.056,3.056,
12A,H,1,9.682,9.682,9.682,
12A,H1',1,5.967,5.967,5.967,
12A,H2',1,5.010,5.010,5.010,
12A,H2M1,1,2.569,2.569,2.569,
12A,H2M2,1,2.569,2.569,2.569,
12A,H2M3,1,2.569,2.569,2.569,
12A,H3',1,4.498,4.498,4.498,
12A,H4',1,4.368,4.368,4.368,
12A,H5',1,3.978,3.978,3.978,
12A,H5'',1,4.051,4.051,4.051,
12A,H8,1,8.325,8.325,8.325,
12A,HA,1,4.334,4.334,4.334,
12A,HB,1,4.191,4.191,4.191,
12A,HG1,1,1.332,1.332,1.332,
12A,HG22,1,1.332,1.332,1.332,
12A,HG23,1,1.332,1.332,1.332,
193,H,1,7.791,7.791,7.791,
193,HA,1,4.357,4.357,4.357,
193,HB2,1,3.171,3.171,3.171,
193,HD,1,7.816,7.816,7.816,
193,HG2,1,2.251,2.251,2.251,
193,HG3,1,2.164,2.164,2.164,
193,HH,1,7.866,7.866,7.866,
193,HT2,1,4.355,4.355,4.355,
193,HT3,1,3.026,3.026,3.026,
193,HZ2,1,1.778,1.778,1.778,
193,HZ3,1,1.527,1.527,1.527,
1AR,C1,4,94.22,102.98,98.600,5.058
1AR,C2,4,46.46,51.90,49.180,3.141
1AR,C4,4,82.73,87.58,85.155,2.800
1AR,C5,4,68.94,76.14,72.540,4.157
1AR,C6,4,21.00,27.73,24.365,3.886
1AR,CC3,4,23.99,28.47,26.230,2.587
1AR,CME,4,23.33,25.89,24.610,1.478
1AR,H1,4,5.09,14.84,9.965,5.629
1AR,H21,2,2.50,6.98,4.740,3.168
1AR,H22,2,2.16,6.90,4.530,3.352
1AR,H2A,2,2.50,6.98,4.740,3.168
1AR,H2E,2,2.16,6.90,4.530,3.352
1AR,H4,4,5.14,9.29,7.215,2.396
1AR,H5,4,4.32,12.05,8.185,4.463
1AR,H61,2,1.70,8.31,5.005,4.674
1AR,H62,2,1.70,8.31,5.005,4.674
1AR,H63,2,1.70,8.31,5.005,4.674
1AR,HM3,2,1.55,6.03,3.790,3.168
1AR,HM31,2,1.55,6.03,3.790,3.168
1AR,HM32,2,1.55,6.03,3.790,3.168
1AR,HM33,2,1.55,6.03,3.790,3.168
1AR,HM4,2,2.30,4.78,3.540,1.754
1AR,HM41,2,2.30,4.78,3.540,1.754
1AR,HM42,2,2.30,4.78,3.540,1.754
1AR,HM43,2,2.30,4.78,3.540,1.754
1AR,HM6,2,1.70,8.31,5.005,4.674
1GL,C1,4,96.42,99.75,98.085,1.923
1GL,C2,4,33.62,36.31,34.965,1.553
1GL,C3,4,68.67,71.04,69.855,1.368
1GL,C4,4,83.86,86.04,84.950,1.259
1GL,C5,4,70.16,72.84,71.500,1.547
1GL,C6,4,19.48,21.50,20.490,1.166
1GL,CME,4,64.46,65.69,65.075,0.710
1GL,H1,4,5.22,8.45,6.835,1.865
1GL,H21,2,1.85,4.07,2.960,1.570
1GL,H22,2,1.57,4.42,2.995,2.015
1GL,H2A,2,1.85,4.07,2.960,1.570
1GL,H2E,2,1.57,4.42,2.995,2.015
1GL,H3,4,4.13,7.11,5.620,1.721
1GL,H4,4,3.53,5.43,4.480,1.097
1GL,H5,4,3.94,7.31,5.625,1.946
1GL,H61,2,1.32,3.21,2.265,1.336
1GL,H62,2,1.32,3.21,2.265,1.336
1GL,H63,2,1.32,3.21,2.265,1.336
1GL,HM4,2,3.61,4.76,4.185,0.813
1GL,HM41,2,3.61,4.76,4.185,0.813
1GL,HM42,2,3.61,4.76,4.185,0.813
1GL,HM43,2,3.61,4.76,4.185,0.813
1GL,HM6,2,1.32,3.21,2.265,1.336
1HF,H10,2,7.531,7.533,7.532,0.001
1HF,H11,2,6.702,6.705,6.704,0.002
1HF,H12,2,6.873,6.910,6.892,0.026
1HF,H4,2,8.417,8.658,8.538,0.170
1HF,H6,2,7.747,7.794,7.771,0.033
1HF,H7,2,7.019,7.441,7.230,0.298
1HF,H9,2,7.220,7.244,7.232,0.017
1HF,HN1,2,10.300,10.347,10.324,0.033
1MG,H1',1,5.897,5.897,5.897,
1MG,H2',1,4.948,4.948,4.948,
1MG,H3',1,4.913,4.913,4.913,
1MG,H4',1,4.587,4.587,4.587,
1MG,H8,1,7.995,7.995,7.995,
1MG,HM11,1,3.354,3.354,3.354,
1YO,HAA,1,2.371,2.371,2.371,
1YO,HAB,1,2.371,2.371,2.371,
1YO,HAC,1,2.371,2.371,2.371,
1YO,HAD,1,7.192,7.192,7.192,
1YO,HAE,1,7.138,7.138,7.138,
1YO,HAF,1,7.028,7.028,7.028,
1YO,HAG,1,7.192,7.192,7.192,
1YO,HAI,1,4.284,4.284,4.284,
1YO,HAJ,1,4.284,4.284,4.284,
28J,C,1,175.220,175.220,175.220,
28J,CA,3,57.067,60.498,59.353,1.980
28J,CB,3,39.273,44.096,41.018,2.674
28J,CD1,3,13.391,14.818,14.033,0.724
28J,CG1,3,28.272,29.865,28.908,0.843
28J,CG2,3,16.468,17.235,16.815,0.389
28J,H,3,8.013,8.242,8.143,0.117
28J,H20,2,8.1417,8.1460,8.144,0.003
28J,H21,2,4.0933,4.1142,4.104,0.015
28J,H23,1,1.3059,1.3059,1.306,
28J,H26,2,1.3083,1.3133,1.311,0.004
28J,HA,3,4.306,5.211,4.613,0.518
28J,HB,3,1.563,1.880,1.772,0.181
28J,HD12,3,0.600,0.884,0.782,0.158
28J,HG12,3,0.916,1.187,1.078,0.143
28J,HG13,3,1.264,1.432,1.342,0.085
28J,HG22,3,0.799,0.898,0.859,0.053
28J,N,3,113.135,120.555,118.028,4.238
2AG,CA,1,53.711,53.711,53.711,
2AG,CB,1,29.564,29.564,29.564,
2AG,H,1,8.582,8.582,8.582,
2AG,H1A,1,7.432,7.432,7.432,
2AG,HA,1,5.222,5.222,5.222,
2AG,HB2,1,3.356,3.356,3.356,
2AG,HB3,1,2.960,2.960,2.960,
2AG,N,1,124.702,124.702,124.702,
2AR,H1',1,4.65,4.65,4.650,
2AR,H2,1,7.53,7.53,7.530,
2AR,H2',1,2.47,2.47,2.470,
2AR,H2'',1,2.35,2.35,2.350,
2AR,H3',1,4.74,4.74,4.740,
2AR,H8,1,7.74,7.74,7.740,
2AR,P,1,-3.55,-3.55,-3.550,
2GL,C1,4,100.21,112.40,106.305,7.038
2GL,C2,4,36.26,44.61,40.435,4.821
2GL,C3,4,70.79,76.68,73.735,3.401
2GL,C4,4,70.98,76.79,73.885,3.354
2GL,C5,4,70.87,80.49,75.680,5.554
2GL,C6,4,19.61,25.97,22.790,3.672
2GL,CME,4,23.43,27.54,25.485,2.373
2GL,H1,4,5.69,18.13,11.910,7.182
2GL,H21,2,2.13,10.49,6.310,5.911
2GL,H22,2,2.43,10.64,6.535,5.805
2GL,H2A,2,2.13,10.49,6.310,5.911
2GL,H2E,2,2.43,10.64,6.535,5.805
2GL,H3,4,4.39,9.77,7.080,3.106
2GL,H4,4,5.33,9.90,7.615,2.638
2GL,H5,4,4.15,11.20,7.675,4.070
2GL,H61,2,1.42,7.48,4.450,4.285
2GL,H62,2,1.42,7.48,4.450,4.285
2GL,H63,2,1.42,7.48,4.450,4.285
2GL,HM4,2,2.38,6.46,4.420,2.885
2GL,HM41,2,2.38,6.46,4.420,2.885
2GL,HM42,2,2.38,6.46,4.420,2.885
2GL,HM43,2,2.38,6.46,4.420,2.885
2GL,HM6,2,1.42,7.48,4.450,4.285
2KT,C3,2,30.078,30.211,30.145,0.094
2KT,C4,2,5.695,5.852,5.774,0.111
2KT,H32,2,1.096,2.817,1.957,1.217
2KT,H33,2,1.096,2.817,1.957,1.217
2KT,Q4,2,0.980,1.092,1.036,0.079
2LA,H1',1,5.492,5.492,5.492,
2LA,H10,1,3.638,3.638,3.638,
2LA,H10A,1,3.467,3.467,3.467,
2LA,H2',1,2.229,2.229,2.229,
2LA,H2'',1,2.214,2.214,2.214,
2LA,H3',1,4.822,4.822,4.822,
2LA,H8,1,6.507,6.507,6.507,
2LF,H1',1,6.140,6.140,6.140,
2LF,H'2',1,2.269,2.269,2.269,
2LF,H2',1,2.550,2.550,2.550,
2LF,H3',1,4.865,4.865,4.865,
2LF,H4',1,5.123,5.123,5.123,
2LF,H5',1,5.559,5.559,5.559,
2ML,H,3,2.80,2.81,2.807,0.006
2ML,HA,3,4.56,4.56,4.560,0.000
2ML,HB3,3,1.50,1.56,1.520,0.035
2ML,HD11,3,0.78,0.79,0.787,0.006
2ML,HD12,3,0.78,0.79,0.787,0.006
2ML,HD13,3,0.78,0.79,0.787,0.006
2ML,HD21,3,0.89,0.89,0.890,0.000
2ML,HD22,3,0.89,0.89,0.890,0.000
2ML,HD23,3,0.89,0.89,0.890,0.000
2ML,HG,3,1.40,1.41,1.407,0.006
2MR,HA,2,3.727,3.757,3.742,0.021
2MR,HB2,2,1.872,1.897,1.885,0.018
2MR,HB3,2,1.872,1.897,1.885,0.018
2MR,HD2,2,2.991,3.034,3.013,0.030
2MR,HD3,2,2.991,3.034,3.013,0.030
2MR,HE,1,6.505,6.505,6.505,
2MR,HG2,2,1.625,1.653,1.639,0.020
2MR,HG3,2,1.625,1.653,1.639,0.020
2MR,HH1,2,6.277,6.301,6.289,0.017
2MR,HH2,2,6.281,6.307,6.294,0.018
2MR,HQ11,2,2.415,2.515,2.465,0.071
2MR,HQ12,2,2.415,2.515,2.465,0.071
2MR,HQ13,2,2.415,2.515,2.465,0.071
2MR,HQ21,2,2.415,2.515,2.465,0.071
2MR,HQ22,2,2.415,2.515,2.465,0.071
2MR,HQ23,2,2.415,2.515,2.465,0.071
2QL,H1,2,7.676,8.105,7.891,0.303
2QL,H10,2,7.598,8.093,7.846,0.350
2QL,H11,2,4.038,5.101,4.570,0.752
2QL,H12,2,4.623,5.098,4.861,0.336
2QL,H13,2,4.273,4.547,4.410,0.194
2QL,H14,2,6.321,6.484,6.403,0.115
2QL,H2,2,6.705,7.064,6.885,0.254
2QL,H3,2,6.744,7.204,6.974,0.325
2QL,H4,2,8.107,8.200,8.154,0.066
2QL,H5,2,8.066,8.357,8.212,0.206
2QL,H6,2,6.988,7.668,7.328,0.481
2QL,H7,2,6.071,7.794,6.933,1.218
2QL,H8,2,6.515,7.813,7.164,0.918
2QL,H9,2,7.498,8.371,7.935,0.617
2SU,H1',2,6.147,6.157,6.152,0.007
2SU,H2',2,4.480,4.490,4.485,0.007
2SU,H3,2,14.248,14.258,14.253,0.007
2SU,H3',2,4.848,4.858,4.853,0.007
2SU,H5,2,5.974,5.984,5.979,0.007
2SU,H6,2,8.239,8.249,8.244,0.007
2W7,H121,1,3.800,3.800,3.800,
2W7,H122,1,3.990,3.990,3.990,
2W7,H3,1,8.630,8.630,8.630,
2W7,H7,1,7.330,7.330,7.330,
2W7,H8,1,7.230,7.230,7.230,
2W7,H9,1,7.630,7.630,7.630,
2W7,HX11,1,1.920,1.920,1.920,
2W7,HX12,1,1.920,1.920,1.920,
2W7,HX21,1,1.920,1.920,1.920,
2W7,HX22,1,1.920,1.920,1.920,
2W7,HX31,1,1.920,1.920,1.920,
2W7,HX32,1,1.920,1.920,1.920,
2W7,HY1,1,1.900,1.900,1.900,
2W7,HY2,1,1.900,1.900,1.900,
2W7,HY3,1,1.900,1.900,1.900,
2W7,HZ11,1,1.515,1.515,1.515,
2W7,HZ12,1,1.515,1.515,1.515,
2W7,HZ21,1,1.515,1.515,1.515,
2W7,HZ22,1,1.515,1.515,1.515,
2W7,HZ31,1,1.515,1.515,1.515,
2W7,HZ32,1,1.515,1.515,1.515,
33B,H11,1,3.418,3.418,3.418,
33B,H12,1,3.729,3.729,3.729,
33B,H13,1,7.911,7.911,7.911,
33B,H14,1,8.443,8.443,8.443,
33B,H15,1,8.302,8.302,8.302,
33B,H21,1,3.815,3.815,3.815,
33B,H22,1,3.743,3.743,3.743,
33B,H3,1,10.461,10.461,10.461,
33B,H5,1,8.301,8.301,8.301,
33B,H7,1,7.873,7.873,7.873,
33B,H8,1,8.682,8.682,8.682,
38T,H1',1,5.728,5.728,5.728,
38T,H2',1,4.043,4.043,4.043,
38T,H3',1,4.225,4.225,4.225,
38T,H4',1,4.177,4.177,4.177,
38T,H5',1,4.058,4.058,4.058,
38T,H5'',1,4.240,4.240,4.240,
38T,H6,1,7.466,7.466,7.466,
38T,H7,1,1.578,1.578,1.578,
38T,P,1,-3.799,-3.799,-3.799,
3D1,H1',1,6.139,6.139,6.139,
3D1,H2,1,7.822,7.822,7.822,
3D1,H2'1,1,2.356,2.356,2.356,
3D1,H2'2,1,2.417,2.417,2.417,
3D1,H3',1,4.663,4.663,4.663,
3D1,H4',1,4.017,4.017,4.017,
3D1,H5'1,1,3.514,3.514,3.514,
3D1,H5'2,1,3.511,3.511,3.511,
3D1,H8,1,8.029,8.029,8.029,
3DR,H1'1,1,3.93,3.93,3.930,
3DR,H1'2,1,4.03,4.03,4.030,
3DR,H2',1,2.03,2.03,2.030,
3DR,H3',1,4.63,4.63,4.630,
3DR,H4'1,1,4.19,4.19,4.190,
3DR,P,1,-2.89,-2.89,-2.890,
3GL,HA,1,5.516,5.516,5.516,
3GL,HB1C,1,2.023,2.023,2.023,
3GL,HB2C,1,1.981,1.981,1.981,
3GL,HN,1,7.086,7.086,7.086,
3NF,CH3,1,1.91,1.91,1.910,
3NF,H,2,7.76,8.360,8.060,0.424
3NF,HA,2,4.477,4.48,4.479,0.002
3NF,HB2,2,2.928,3.02,2.974,0.065
3NF,HB3,2,2.86,2.976,2.918,0.082
3NF,HD1,2,7.05,7.103,7.077,0.037
3NF,HD2,2,7.05,7.103,7.077,0.037
3NF,HE1,2,6.79,6.813,6.802,0.016
3NF,HE2,2,6.79,6.813,6.802,0.016
3ZO,H1,1,11.421,11.421,11.421,
3ZO,H1',1,6.107,6.107,6.107,
3ZO,H2',1,2.672,2.672,2.672,
3ZO,H2'',1,2.648,2.648,2.648,
3ZO,H3',1,5.152,5.152,5.152,
3ZO,H4',1,4.388,4.388,4.388,
3ZO,H5',1,4.305,4.305,4.305,
3ZO,H5'',1,4.305,4.305,4.305,
3ZO,H8,1,7.556,7.556,7.556,
48L,H1,1,7.69,7.69,7.690,
48L,H7,1,5.586,5.586,5.586,
48L,H8,1,5.852,5.852,5.852,
48L,H9,1,4.619,4.619,4.619,
48L,HD1,1,6.961,6.961,6.961,
48L,HD4,1,7.537,7.537,7.537,
48L,HD5,1,7.553,7.553,7.553,
48L,HE1,1,7.158,7.158,7.158,
48L,HE3,1,7.536,7.536,7.536,
48L,HE5,1,6.592,6.592,6.592,
48L,HE6,1,6.55,6.55,6.550,
48L,HH2,1,2.873,2.873,2.873,
48L,HH3,1,3.085,3.085,3.085,
48L,HH4,1,3.585,3.585,3.585,
48L,HHM,1,1.139,1.139,1.139,
48L,HM11,1,3.733,3.733,3.733,
48L,HM12,1,3.733,3.733,3.733,
48L,HM13,1,3.733,3.733,3.733,
48L,HZ2,1,7.649,7.649,7.649,
4E9,H1',1,5.918,5.918,5.918,
4E9,H12,1,7.954,7.954,7.954,
4E9,H13,1,7.611,7.611,7.611,
4E9,H14,1,8.263,8.263,8.263,
4E9,H18,1,7.427,7.427,7.427,
4E9,H19,1,6.644,6.644,6.644,
4E9,H2',1,3.497,3.497,3.497,
4E9,H2'',1,2.680,2.680,2.680,
4E9,H20,1,7.202,7.202,7.202,
4E9,H23,1,7.782,7.782,7.782,
4E9,H24,1,8.043,8.043,8.043,
4E9,H25,1,8.249,8.249,8.249,
4E9,H3',1,5.114,5.114,5.114,
4E9,H4',1,4.422,4.422,4.422,
4EM,C28,1,73.885,73.885,73.885,
4EM,C37,1,38.461,38.461,38.461,
4EM,H282,1,3.395,3.395,3.395,
4EM,H283,1,3.664,3.664,3.664,
4EM,H301,1,0.779,0.779,0.779,
4EM,H302,1,0.779,0.779,0.779,
4EM,H303,1,0.779,0.779,0.779,
4EM,H311,1,0.820,0.820,0.820,
4EM,H312,1,0.820,0.820,0.820,
4EM,H313,1,0.820,0.820,0.820,
4EM,H32,1,3.950,3.950,3.950,
4EM,H36,1,8.013,8.013,8.013,
4EM,H372,1,3.451,3.451,3.451,
4EM,H373,1,3.479,3.479,3.479,
4EM,H381,1,2.465,2.465,2.465,
4EM,H382,1,2.465,2.465,2.465,
4EM,H383,1,2.465,2.465,2.465,
4EM,H41,1,8.169,8.169,8.169,
4EM,H421,1,3.368,3.368,3.368,
4EM,H422,1,3.368,3.368,3.368,
4EM,H423,1,3.368,3.368,3.368,
4EM,H431,1,3.443,3.443,3.443,
4EM,H432,1,3.443,3.443,3.443,
4EM,H433,1,3.443,3.443,3.443,
4EM,H44,1,8.063,8.063,8.063,
4EM,H49,1,6.757,6.757,6.757,
4EM,H50,1,6.928,6.928,6.928,
4EM,H51,1,6.105,6.105,6.105,
4EN,H1',1,6.035,6.035,6.035,
4EN,H2',1,2.552,2.552,2.552,
4EN,H2'',1,2.758,2.758,2.758,
4EN,H3',1,4.961,4.961,4.961,
4EN,H4',1,4.415,4.415,4.415,
4EN,H7,1,8.108,8.108,8.108,
4EN,P,1,-0.198,-0.198,-0.198,
4FO,H,4,7.8630,8.5923,8.232,0.401
4FO,HA,4,4.4886,4.9649,4.720,0.259
4FO,HB2,4,2.0277,2.1503,2.089,0.062
4FO,HB3,4,1.7892,1.9929,1.890,0.105
4FO,HG2,4,2.7989,2.9270,2.862,0.065
4FO,HG3,4,2.7989,2.9308,2.863,0.066
4FU,H14,2,2.917,2.991,2.954,0.052
4FU,H8,1,2.694,2.694,2.694,
4FU,HA1,1,2.619,2.619,2.619,
4FU,HA2,1,3.074,3.074,3.074,
4FU,HAI,1,2.030,2.030,2.030,
4FU,HAK,2,1.754,1.759,1.757,0.004
4FU,HB11,1,1.811,1.811,1.811,
4FU,HB12,1,1.938,1.938,1.938,
4FU,HB21,1,2.074,2.074,2.074,
4FU,HG12,1,2.610,2.610,2.610,
4FU,HG21,1,1.394,1.394,1.394,
4G6,HA2,1,3.565,3.565,3.565,
4G6,HA3,1,3.505,3.505,3.505,
4G6,HAA,2,1.163,1.175,1.169,0.008
4G6,HAD,2,1.282,1.293,1.288,0.008
4G6,HAG,2,3.499,3.538,3.519,0.028
4G6,HAH,1,3.542,3.542,3.542,
4G6,HAI,2,8.022,8.023,8.023,0.001
4G6,HM,1,1.289,1.289,1.289,
4G6,HN,1,8.064,8.064,8.064,
4HH,C,1,175.8,175.8,175.800,
4HH,CA,1,61.016,61.016,61.016,
4HH,CB,1,65.748,65.748,65.748,
4HH,CJ,1,74.026,74.026,74.026,
4HH,CL1,1,23.595,23.595,23.595,
4HH,CL2,1,21.384,21.384,21.384,
4HH,CL3,1,76.726,76.726,76.726,
4HH,CM,1,177.316,177.316,177.316,
4HH,CO,1,38.076,38.076,38.076,
4HH,CP,1,38.169,38.169,38.169,
4HH,CQ,1,176.551,176.551,176.551,
4HH,CS,1,45.084,45.084,45.084,
4HH,CT,1,26.012,26.012,26.012,
4HH,H,1,9.001,9.001,9.001,
4HH,HA,1,4.265,4.265,4.265,
4HH,HB2,1,4.214,4.214,4.214,
4HH,HB3,1,4.257,4.257,4.257,
4HH,HJ2,1,3.374,3.374,3.374,
4HH,HJ3,1,3.763,3.763,3.763,
4HH,HL1,1,0.881,0.881,0.881,
4HH,HL2,1,0.798,0.798,0.798,
4HH,HL3,1,3.993,3.993,3.993,
4HH,HN,1,7.957,7.957,7.957,
4HH,HO,1,3.459,3.459,3.459,
4HH,HP,1,2.455,2.455,2.455,
4HH,HR,1,8.130,8.130,8.130,
4HH,HS,1,3.275,3.275,3.275,
4HH,HT,1,2.558,2.558,2.558,
4HH,N,1,113.44,113.44,113.440,
4HH,NN,1,120.014,120.014,120.014,
4HH,NR,1,124.573,124.573,124.573,
4HJ,C,1,176.643,176.643,176.643,
4HJ,CA,1,60.898,60.898,60.898,
4HJ,CAA,1,139.025,139.025,139.025,
4HJ,CB,1,67.836,67.836,67.836,
4HJ,CJ,1,73.754,73.754,73.754,
4HJ,CL1,1,23.086,23.086,23.086,
4HJ,CL2,1,21.835,21.835,21.835,
4HJ,CL3,1,77.045,77.045,77.045,
4HJ,CM,1,177.338,177.338,177.338,
4HJ,CO,1,37.959,37.959,37.959,
4HJ,CP,1,37.961,37.961,37.961,
4HJ,CR,1,176.710,176.710,176.710,
4HJ,CS,1,40.999,40.999,40.999,
4HJ,CT,1,31.029,31.029,31.029,
4HJ,CY2,1,131.827,131.827,131.827,
4HJ,CZ1,1,120.156,120.156,120.156,
4HJ,CZ2,1,122.547,122.547,122.547,
4HJ,H,1,8.968,8.968,8.968,
4HJ,HA,1,4.001,4.001,4.001,
4HJ,HAA,1,7.522,7.522,7.522,
4HJ,HB2,1,4.264,4.264,4.264,
4HJ,HB3,1,4.224,4.224,4.224,
4HJ,HJ2,1,3.25,3.25,3.250,
4HJ,HJ3,1,3.662,3.662,3.662,
4HJ,HL1,1,0.814,0.814,0.814,
4HJ,HL2,1,0.768,0.768,0.768,
4HJ,HL3,1,3.911,3.911,3.911,
4HJ,HN,1,7.850,7.850,7.850,
4HJ,HO,1,3.442,3.442,3.442,
4HJ,HP,1,2.447,2.447,2.447,
4HJ,HR,1,8.221,8.221,8.221,
4HJ,HS,1,3.371,3.371,3.371,
4HJ,HT2,1,3.042,3.042,3.042,
4HJ,HT3,1,2.969,2.969,2.969,
4HJ,HY2,1,7.722,7.722,7.722,
4HJ,HZ1,1,6.898,6.898,6.898,
4HJ,HZ2,1,6.912,6.912,6.912,
4HJ,N,1,113.882,113.882,113.882,
4HJ,NN,1,119.485,119.485,119.485,
4HJ,NR,1,123.070,123.070,123.070,
4IP,H1,1,4.042,4.042,4.042,
4IP,H2,1,4.459,4.459,4.459,
4IP,H3,1,4.124,4.124,4.124,
4IP,H4,1,4.401,4.401,4.401,
4IP,H5,1,4.042,4.042,4.042,
4IP,H6,1,3.907,3.907,3.907,
4J2,HA,2,4.844,4.922,4.883,0.055
4J2,HB2,2,2.832,3.004,2.918,0.122
4J2,HB3,2,3.059,3.107,3.083,0.034
4J2,HD1,2,7.115,7.167,7.141,0.037
4J2,HD2,2,7.382,7.418,7.400,0.025
4J2,HE1,2,7.553,7.598,7.576,0.032
4J2,HE3,1,7.924,7.924,7.924,
4J2,HE4,1,7.592,7.592,7.592,
4J2,HN,2,8.828,8.868,8.848,0.028
4J2,HZ2,2,7.768,7.887,7.828,0.084
4J2,HZ3,1,7.507,7.507,7.507,
4J4,CA,1,58.1792,58.1792,58.179,
4J4,CB,1,33.5831,33.5831,33.583,
4J4,FAA,1,-36.5683,-36.5683,-36.568,
4J4,FAE,1,-36.1184,-36.1184,-36.118,
4J4,HAC,1,6.6358,6.6358,6.636,
4J4,HAG,1,7.2820,7.2820,7.282,
4J4,HAH,1,7.4917,7.4917,7.492,
4J4,HAK,1,7.5978,7.5978,7.598,
4J4,HAL,1,6.7872,6.7872,6.787,
4J4,HAP,1,3.8967,3.8967,3.897,
4J4,HAR,1,7.2820,7.2820,7.282,
4J4,HAS,1,7.4917,7.4917,7.492,
4J5,H,1,8.72,8.72,8.720,
4J5,HA,1,4.74,4.74,4.740,
4J5,HB2,1,1.999,1.999,1.999,
4J5,HB3,1,1.934,1.934,1.934,
4J5,HD,1,6.79,6.79,6.790,
4J5,HG2,1,2.951,2.951,2.951,
4J5,HG3,1,2.866,2.866,2.866,
4JA,H1,2,3.860,3.890,3.875,0.021
4JA,H2,2,2.920,2.950,2.935,0.021
4JA,H2',2,2.280,3.270,2.775,0.700
4JA,H2'',2,2.560,3.270,2.915,0.502
4JA,H3,2,2.740,3.210,2.975,0.332
4JA,H3',2,4.230,4.310,4.270,0.057
4JA,H4,2,2.620,2.750,2.685,0.092
4JA,H5,2,2.990,3.000,2.995,0.007
4JA,H5',2,3.840,3.920,3.880,0.057
4JA,H5'',2,3.840,3.920,3.880,0.057
4JA,H61,1,0.710,0.710,0.710,
4JA,H62,1,0.710,0.710,0.710,
4JA,H63,1,0.710,0.710,0.710,
4JA,Q6,1,0.720,0.720,0.720,
4JF,H109,1,2.51,2.51,2.510,
4JF,H110,1,2.23,2.23,2.230,
4JF,H111,1,4.99,4.99,4.990,
4JF,H112,1,2.98,2.98,2.980,
4JF,H113,1,4.04,4.04,4.040,
4JF,H114,1,4.17,4.17,4.170,
4JF,H120,1,2.98,2.98,2.980,
4JF,H121,1,2.98,2.98,2.980,
4JF,H122,1,2.98,2.98,2.980,
4JF,H124,1,3.1,3.1,3.100,
4JF,H125,1,3.1,3.1,3.100,
4JF,H126,1,3.1,3.1,3.100,
4JF,H128,1,2.09,2.09,2.090,
4JF,H129,1,2.09,2.09,2.090,
4JF,H130,1,2.09,2.09,2.090,
4JF,H135,1,6.02,6.02,6.020,
4JF,H137,1,2.04,2.04,2.040,
4JF,H138,1,1.71,1.71,1.710,
4JF,H141,1,4.04,4.04,4.040,
4JF,H142,1,4.12,4.12,4.120,
4JF,H143,1,3.28,3.28,3.280,
4JF,H146,1,1.31,1.31,1.310,
4JF,H147,1,1.31,1.31,1.310,
4JF,H148,1,1.31,1.31,1.310,
4JF,H153,1,3.73,3.73,3.730,
4JF,H154,1,3.73,3.73,3.730,
4JF,H155,1,3.73,3.73,3.730,
4JF,H158,1,6.02,6.02,6.020,
4JF,H16,1,12.36,12.36,12.360,
4JF,H160,1,1.71,1.71,1.710,
4JF,H161,1,2.04,2.04,2.040,
4JF,H164,1,4.04,4.04,4.040,
4JF,H165,1,4.12,4.12,4.120,
4JF,H166,1,3.28,3.28,3.280,
4JF,H172,1,3.61,3.61,3.610,
4JF,H173,1,3.61,3.61,3.610,
4JF,H174,1,3.61,3.61,3.610,
4JF,H176,1,1.31,1.31,1.310,
4JF,H18,1,13.44,13.44,13.440,
4JF,H27,1,3.85,3.85,3.850,
4JF,H30,1,5.72,5.72,5.720,
4JF,H32,1,2.21,2.21,2.210,
4JF,H33,1,2.04,2.04,2.040,
4JF,H35,1,1.21,1.21,1.210,
4JF,H36,1,1.21,1.21,1.210,
4JF,H37,1,1.21,1.21,1.210,
4JF,H40,1,3.81,3.81,3.810,
4JF,H47,1,5.45,5.45,5.450,
4JF,H49,1,2.11,2.11,2.110,
4JF,H50,1,1.97,1.97,1.970,
4JF,H52,1,1.15,1.15,1.150,
4JF,H53,1,1.15,1.15,1.150,
4JF,H54,1,1.15,1.15,1.150,
4JF,H69,1,6.6,6.6,6.600,
4JF,H7,1,6.65,6.65,6.650,
4JF,H70,1,5.47,5.47,5.470,
4JF,H72,1,12.3,12.3,12.300,
4JF,H74,1,13.9,13.9,13.900,
4JF,H8,1,5.97,5.97,5.970,
4JF,H82,1,4.13,4.13,4.130,
4JF,H83,1,2.52,2.52,2.520,
4JF,H84,1,2.13,2.13,2.130,
4JF,H85,1,4.25,4.25,4.250,
4JF,H86,1,3.13,3.13,3.130,
4JF,H87,1,5.04,5.04,5.040,
4JF,H90,1,2.1,2.1,2.100,
4JF,H91,1,2.1,2.1,2.100,
4JF,H92,1,2.1,2.1,2.100,
4JF,H97,1,3.13,3.13,3.130,
4JF,H98,1,3.13,3.13,3.130,
4JF,H99,1,3.13,3.13,3.130,
4N2,H1,1,5.254,5.254,5.254,
4N2,H2,1,3.326,3.326,3.326,
4N2,H3,1,3.788,3.788,3.788,
4N2,H4,1,3.593,3.593,3.593,
4N2,H5,1,3.926,3.926,3.926,
4N2,H61,1,3.686,3.686,3.686,
4N2,H62,1,3.686,3.686,3.686,
4PH,C33,3,25.153,25.846,25.423,0.371
4PH,CA,1,61.713,61.713,61.713,
4PH,CD1,3,133.969,134.080,134.010,0.061
4PH,CD2,3,133.969,134.080,134.010,0.061
4PH,CE1,3,134.034,134.237,134.154,0.106
4PH,CE2,3,134.034,134.237,134.154,0.106
4PH,H,3,7.965,8.198,8.046,0.131
4PH,H33,3,2.285,2.338,2.304,0.030
4PH,H33A,3,2.285,2.338,2.304,0.030
4PH,H33B,3,2.285,2.338,2.304,0.030
4PH,HA,3,4.235,4.588,4.422,0.177
4PH,HB2,3,3.197,3.249,3.232,0.030
4PH,HB3,3,3.092,3.317,3.194,0.114
4PH,HD1,3,7.066,7.194,7.149,0.072
4PH,HD2,3,7.065,7.195,7.150,0.073
4PH,HE1,3,6.974,7.168,7.060,0.099
4PH,HE2,3,6.975,7.167,7.060,0.098
4PH,N,3,117.996,119.991,119.036,1.000
4PQ,C,2,176.634,176.720,176.677,0.061
4PQ,CA,2,57.460,57.526,57.493,0.047
4PQ,CB,2,29.952,29.956,29.954,0.003
4PQ,CD1,2,128.287,128.297,128.292,0.007
4PQ,CD2,2,130.316,130.353,130.335,0.026
4PQ,CE2,2,133.960,133.961,133.961,0.001
4PQ,CE3,2,105.277,105.288,105.283,0.008
4PQ,CG,2,110.900,110.986,110.943,0.061
4PQ,CH2,2,114.523,114.534,114.529,0.008
4PQ,CZ2,2,115.486,115.497,115.492,0.008
4PQ,CZ3,2,151.641,151.765,151.703,0.088
4PQ,H10,2,6.840,6.840,6.840,0.000
4PQ,H11,2,7.050,7.050,7.050,0.000
4PQ,H4,2,4.724,4.725,4.725,0.001
4PQ,H5,2,3.207,3.207,3.207,0.000
4PQ,H6,2,3.244,3.253,3.249,0.006
4PQ,H7,2,7.250,7.250,7.250,0.000
4PQ,H9,2,7.370,7.373,7.372,0.002
5CM,H1',25,5.52275,6.14531,5.758,0.240
5CM,H2',28,1.80658,2.342,1.998,0.150
5CM,H2'',27,2.18471,2.73604,2.436,0.194
5CM,H3',21,4.78897,5.09297,4.926,0.092
5CM,H4',6,4.08396,4.1721,4.124,0.040
5CM,H41,1,6.814,6.814,6.814,
5CM,H42,1,8.686,8.686,8.686,
5CM,H5',1,4.094,4.094,4.094,
5CM,H5'',1,4.094,4.094,4.094,
5CM,H5A1,28,1.57336,1.9707,1.694,0.105
5CM,H5A2,28,1.57336,1.9707,1.694,0.105
5CM,H5A3,28,1.57336,1.9707,1.694,0.105
5CM,H6,28,7.04123,7.49402,7.239,0.142
5CM,HN41,27,6.616,8.88151,8.397,0.624
5CM,HN42,27,6.02454,9.212,6.829,0.809
5CW,CA,1,59.714,59.714,59.714,
5CW,CB,1,29.585,29.585,29.585,
5CW,CE3,1,119.679,119.679,119.679,
5CW,CH2,1,123.683,123.683,123.683,
5CW,CZ2,1,115.311,115.311,115.311,
5CW,H,1,8.887,8.887,8.887,
5CW,HA,1,4.511,4.511,4.511,
5CW,HB,1,3.207,3.207,3.207,
5CW,HD1,1,7.218,7.218,7.218,
5CW,HE1,1,10.737,10.737,10.737,
5CW,HE3,1,7.254,7.254,7.254,
5CW,HH2,1,6.997,6.997,6.997,
5CW,HZ2,1,7.435,7.435,7.435,
5FC,H1',1,5.643,5.643,5.643,
5FC,H2',1,2.078,2.078,2.078,
5FC,H2'',1,2.461,2.461,2.461,
5FC,H4',1,4.120,4.120,4.120,
5FC,H41,1,7.857,7.857,7.857,
5FC,H42,1,9.122,9.122,9.122,
5FC,H6,1,8.337,8.337,8.337,
5FC,H7,1,9.360,9.360,9.360,
5MC,H1',3,5.594,6.12,5.772,0.301
5MC,H2',3,2.16,4.279,3.570,1.221
5MC,H2'',1,2.64,2.64,2.640,
5MC,H3',3,4.531,5.11,4.725,0.334
5MC,H4',1,4.38,4.38,4.380,
5MC,H5',1,4.50,4.50,4.500,
5MC,H5'',1,4.31,4.31,4.310,
5MC,H6,3,7.786,7.94,7.838,0.088
5MC,HM51,3,1.682,2.27,1.878,0.339
5MC,HM52,1,2.27,2.27,2.270,
5MC,HM53,1,2.27,2.27,2.270,
5MC,HN41,3,6.739,10.11,7.863,1.946
5MC,HN42,3,8.447,9.56,8.826,0.636
5MC,P,1,-4.88,-4.88,-4.880,
5MU,H3',1,13.689,13.689,13.689,
5MU,N3,1,160.328,160.328,160.328,
5OC,H1',1,5.572,5.572,5.572,
5OC,H2',1,2.163,2.163,2.163,
5OC,H2'',1,2.385,2.385,2.385,
5OC,H6,1,6.656,6.656,6.656,
5PC,H1',7,5.90,6.08,6.001,0.060
5PC,H2',7,2.41,2.77,2.501,0.126
5PC,H2'',7,2.72,2.77,2.744,0.018
5PC,H3',7,4.77,4.85,4.821,0.027
5PC,H4',7,4.27,4.39,4.339,0.043
5PC,H5',7,4.10,4.32,4.267,0.076
5PC,H5'',7,3.94,4.20,4.156,0.095
5PC,H6,7,7.65,8.30,7.856,0.221
5PC,H9,1,2.10,2.10,2.100,
5PC,H91,6,2.00,2.14,2.075,0.048
5PC,H92,6,2.00,2.14,2.075,0.048
5PC,H93,6,2.00,2.14,2.075,0.048
63T,H2',1,2.82,2.82,2.820,
63T,H2'',1,2.61,2.61,2.610,
63T,H2'1,1,2.61,2.61,2.610,
63T,H2'2,1,2.80,2.80,2.800,
63T,H3',2,4.78,4.81,4.795,0.021
63T,H4',2,3.88,4.36,4.120,0.339
64T,H1',2,5.54,5.97,5.755,0.304
64T,H2',2,0.94,2.08,1.510,0.806
64T,H2'',2,1.86,2.45,2.155,0.417
64T,H3,1,13.14,13.14,13.140,
64T,H3',2,4.43,4.75,4.590,0.226
64T,H4',2,3.90,4.00,3.950,0.071
64T,H61,2,4.39,4.75,4.570,0.255
64T,H62,2,4.39,4.75,4.570,0.255
64T,H71,2,0.95,1.26,1.105,0.219
64T,H72,2,0.95,1.26,1.105,0.219
64T,H73,2,0.95,1.26,1.105,0.219
66S,C2,1,46.28,46.28,46.280,
66S,C28,1,74.619,74.619,74.619,
66S,C3,1,28.146,28.146,28.146,
66S,C37,1,38.376,38.376,38.376,
66S,C38,1,38.26,38.26,38.260,
66S,C4,1,33.718,33.718,33.718,
66S,C42,1,41.548,41.548,41.548,
66S,C43,1,30.763,30.763,30.763,
66S,C5,1,30.864,30.864,30.864,
66S,C6,1,30.825,30.825,30.825,
66S,C7,1,24.812,24.812,24.812,
66S,C8,1,16.062,16.062,16.062,
66S,H2,1,2.577,2.577,2.577,
66S,H28,1,3.466,3.466,3.466,
66S,H28A,1,3.816,3.816,3.816,
66S,H2A,1,2.577,2.577,2.577,
66S,H3,1,1.571,1.571,1.571,
66S,H37,1,3.448,3.448,3.448,
66S,H37A,1,3.448,3.448,3.448,
66S,H38,1,2.419,2.419,2.419,
66S,H38A,1,2.419,2.419,2.419,
66S,H3A,1,1.571,1.571,1.571,
66S,H4,1,1.214,1.214,1.214,
66S,H42,1,3.328,3.328,3.328,
66S,H42A,1,3.328,3.328,3.328,
66S,H43,1,2.979,2.979,2.979,
66S,H43A,1,2.979,2.979,2.979,
66S,H4A,1,1.214,1.214,1.214,
66S,H5,1,1.216,1.216,1.216,
66S,H5A,1,1.216,1.216,1.216,
66S,H6,1,1.216,1.216,1.216,
66S,H6A,1,1.216,1.216,1.216,
66S,H7,1,1.216,1.216,1.216,
66S,H7A,1,1.216,1.216,1.216,
66S,H8,1,0.818,0.818,0.818,
66S,H8A,1,0.818,0.818,0.818,
66S,H8B,1,0.818,0.818,0.818,
66S,HN36,1,8.103,8.103,8.103,
66S,HN41,1,8.278,8.278,8.278,
6FS,C1,2,93.8166,93.8166,93.817,0.000
6FS,C10,2,58.6050,58.6050,58.605,0.000
6FS,C11,2,140.5575,140.5575,140.558,0.000
6FS,C12,2,63.9299,63.9299,63.930,0.000
6FS,C13,2,123.6042,123.6042,123.604,0.000
6FS,C14,2,113.0426,113.0426,113.043,0.000
6FS,C17,2,116.9754,116.9754,116.975,0.000
6FS,C19,2,58.4648,58.4648,58.465,0.000
6FS,C20,2,49.8000,49.8000,49.800,0.000
6FS,C5,2,93.8166,93.8166,93.817,0.000
6FS,C7,2,58.4648,58.4648,58.465,0.000
6FS,C8,2,58.6050,58.6050,58.605,0.000
6FS,C9,2,121.8051,121.8051,121.805,0.000
6FS,H1,2,6.2541,6.2541,6.254,0.000
6FS,H10,2,3.8198,3.8198,3.820,0.000
6FS,H11,2,7.2888,7.2888,7.289,0.000
6FS,H12,2,4.3651,4.3651,4.365,0.000
6FS,H13,2,6.7741,6.7741,6.774,0.000
6FS,H14,2,6.8999,6.8999,6.900,0.000
6FS,H17,2,6.4416,6.4416,6.442,0.000
6FS,H19,2,3.8547,3.8547,3.855,0.000
6FS,H20,2,3.3456,3.3456,3.346,0.000
6FS,H5,2,6.2541,6.2541,6.254,0.000
6FS,H71,2,3.8547,3.8547,3.855,0.000
6FS,H81,2,3.8198,3.8198,3.820,0.000
6FS,H9,2,7.0634,7.0634,7.063,0.000
6FS,H9N,2,4.3651,4.3651,4.365,0.000
6FS,H9Q,2,3.3456,3.3456,3.346,0.000
6HB,H1',1,5.589,5.589,5.589,
6HB,H2,2,6.863,6.945,6.904,0.058
6HB,H2',1,2.640,2.640,2.640,
6HB,H2'',1,2.687,2.687,2.687,
6HB,H3',1,5.014,5.014,5.014,
6HB,H8,1,8.195,8.195,8.195,
6HB,Ha1,1,3.962,3.962,3.962,
6HB,Ha2,1,2.857,2.857,2.857,
6HB,Hb,1,4.292,4.292,4.292,
6HB,Hc,1,5.891,5.891,5.891,
6HB,Hd1,1,5.305,5.305,5.305,
6HB,Hd2,1,5.407,5.407,5.407,
6HH,C2,2,37.393,37.640,37.517,0.175
6HH,C3,2,27.039,27.094,27.067,0.039
6HH,C4,2,27.446,27.487,27.467,0.029
6HH,C5,2,30.982,31.020,31.001,0.027
6HH,C6,2,73.089,73.099,73.094,0.007
6HH,H21,2,2.316,2.341,2.329,0.018
6HH,H22,2,2.316,2.341,2.329,0.018
6HH,H31,2,1.583,1.597,1.590,0.010
6HH,H32,2,1.583,1.597,1.590,0.010
6HH,H41,2,1.316,1.336,1.326,0.014
6HH,H42,2,1.316,1.336,1.326,0.014
6HH,H51,2,1.551,1.563,1.557,0.008
6HH,H52,2,1.551,1.563,1.557,0.008
6HH,H61,2,3.882,3.894,3.888,0.008
6HH,H62,2,3.554,3.572,3.563,0.013
6IA,C1',3,90.3,92.82,91.363,1.305
6IA,C2,2,154.57,154.57,154.570,0.000
6IA,C2',2,74.42,75.41,74.915,0.700
6IA,C3',2,74.17,75.93,75.050,1.245
6IA,C4',2,83.20,84.24,83.720,0.735
6IA,C5',2,68.08,68.16,68.120,0.057
6IA,C8,3,138.70,140.9,139.623,1.142
6IA,H1',3,5.58,5.85,5.690,0.142
6IA,H121,2,3.63,3.67,3.650,0.028
6IA,H122,2,3.47,3.47,3.470,0.000
6IA,H132,2,4.97,5.06,5.015,0.064
6IA,H161,2,1.48,1.55,1.515,0.049
6IA,H162,2,1.48,1.55,1.515,0.049
6IA,H163,2,1.48,1.55,1.515,0.049
6IA,H2,2,7.88,7.88,7.880,0.000
6IA,H2',1,4.86,4.86,4.860,
6IA,H3',3,4.25,4.7,4.543,0.254
6IA,H4',2,4.45,4.58,4.515,0.092
6IA,H5',2,4.23,4.29,4.260,0.042
6IA,H5'',1,4.11,4.11,4.110,
6IA,H8,3,7.70,8.09,7.870,0.200
6IA,HN6,1,6.71,6.71,6.710,
6IA,HO2',2,4.37,4.78,4.575,0.290
6IA,N1,1,220.81,220.81,220.810,
6IA,N3,1,212.25,212.25,212.250,
6IA,N6,2,89.45,92.32,90.885,2.029
6IA,N7,1,229.83,229.83,229.830,
6MD,C1',1,91.17,91.17,91.170,
6MD,C2,1,152.3,152.3,152.300,
6MD,C8,1,137.3,137.3,137.300,
6MD,CH3,1,31.73,31.73,31.730,
6MD,H1',1,6.007,6.007,6.007,
6MD,H2,1,7.712,7.712,7.712,
6MD,H2',1,4.618,4.618,4.618,
6MD,H3',1,4.688,4.688,4.688,
6MD,H3C,1,3.017,3.017,3.017,
6MD,H4',1,4.521,4.521,4.521,
6MD,H5',1,4.187,4.187,4.187,
6MD,H61,1,8.343,8.343,8.343,
6MD,H8,1,8.098,8.098,8.098,
6MD,P,1,-0.045,-0.045,-0.045,
6MZ,C1',1,90.514,90.514,90.514,
6MZ,C2,1,155.654,155.654,155.654,
6MZ,C3',1,75.687,75.687,75.687,
6MZ,C4',1,83.929,83.929,83.929,
6MZ,C8,1,143.551,143.551,143.551,
6MZ,H1',3,5.757,5.876,5.799,0.067
6MZ,H2,3,7.702,8.219,7.883,0.291
6MZ,H2',3,4.205,4.455,4.362,0.137
6MZ,H3',3,4.342,4.583,4.424,0.137
6MZ,H4',3,4.338,4.493,4.400,0.082
6MZ,H5'1,1,4.052,4.052,4.052,
6MZ,H5'2,1,4.594,4.594,4.594,
6MZ,H6,1,6.606,6.606,6.606,
6MZ,H71,2,2.532,2.534,2.533,0.001
6MZ,H72,2,2.532,2.534,2.533,0.001
6MZ,H73,2,2.532,2.534,2.533,0.001
6MZ,H8,3,7.961,8.319,8.085,0.203
6MZ,H9,1,0.678,0.678,0.678,
6MZ,H9C1,1,0.678,0.678,0.678,
6MZ,H9C2,1,0.678,0.678,0.678,
70U,H1',1,6.467,6.467,6.467,
70U,H2',1,4.353,4.353,4.353,
70U,H3',1,4.508,4.508,4.508,
70U,H4',1,4.237,4.237,4.237,
70U,H5',1,4.059,4.059,4.059,
70U,H6,1,7.894,7.894,7.894,
70U,H71,1,3.440,3.440,3.440,
70U,H72,1,3.440,3.440,3.440,
70U,H91,1,3.591,3.591,3.591,
70U,H92,1,3.591,3.591,3.591,
70U,H93,1,3.591,3.591,3.591,
7BU,H1,1,9.349,9.349,9.349,
7BU,H2,1,9.254,9.254,9.254,
7BU,H3,1,9.344,9.344,9.344,
7BU,H4,1,9.256,9.256,9.256,
7BU,H5,1,9.358,9.358,9.358,
7BU,H6,1,9.257,9.257,9.257,
7BU,H7,1,9.356,9.356,9.356,
7BU,H8,1,9.260,9.260,9.260,
7GU,H1',1,6.072,6.072,6.072,
7GU,H2',1,2.463,2.463,2.463,
7GU,H2'',1,2.547,2.547,2.547,
7GU,H8,1,6.802,6.802,6.802,
7GU,H9,1,4.910,4.910,4.910,
81S,H4,1,4.116,4.116,4.116,
81S,H5,1,2.131,2.131,2.131,
81S,H6,1,1.947,1.947,1.947,
81S,H7,1,2.861,2.861,2.861,
81S,H8,1,2.980,2.980,2.980,
81S,H9,1,2.399,2.399,2.399,
8NK,H11,1,5.9156,5.9156,5.916,
8NK,H12,1,9.0606,9.0606,9.061,
8NK,H13,1,4.1155,4.1155,4.116,
8NK,H9,1,4.4594,4.4594,4.459,
8OG,H1,26,11.20,13.18,12.858,0.504
8OG,H1',31,5.14408,6.01,5.454,0.229
8OG,H2',31,2.26,3.60898,3.286,0.267
8OG,H2'',31,2.25,3.51,2.465,0.271
8OG,H3',26,4.84911,5.000,4.879,0.038
8OG,H4',8,4.11,4.325,4.202,0.070
8OG,H5',1,4.039,4.039,4.039,
8OG,H5'',1,4.039,4.039,4.039,
8OG,H7,13,9.78,11.948,10.266,0.611
8OG,P,10,-4.05504,-3.69,-3.899,0.131
8XA,C1',2,92.753,92.874,92.814,0.086
8XA,C2,2,151.619,151.779,151.699,0.113
8XA,C2',2,79.179,79.181,79.180,0.001
8XA,C3',2,79.621,79.624,79.623,0.002
8XA,C4,2,147.55,147.899,147.725,0.247
8XA,C4',2,84.78,85.26,85.020,0.339
8XA,C5,2,119.665,119.761,119.713,0.068
8XA,C5',2,64.032,64.415,64.224,0.271
8XA,C6,2,156.247,156.477,156.362,0.163
8XA,C8,2,139.987,140.217,140.102,0.163
8XA,H1',2,5.953,6.12,6.037,0.118
8XA,H2,2,7.953,8.079,8.016,0.089
8XA,H2',2,4.358,4.581,4.470,0.158
8XA,H3',2,4.559,4.591,4.575,0.023
8XA,H4',2,4.587,4.668,4.628,0.057
8XA,H5',2,4.191,4.249,4.220,0.041
8XA,H5'',2,3.807,4.025,3.916,0.154
8XA,H61,1,7.684,7.684,7.684,
8XA,H62,1,6.71,6.71,6.710,
8XA,H8,2,7.924,7.972,7.948,0.034
8XA,P,2,0.039,0.497,0.268,0.324
8XC,C1',2,93.449,93.798,93.624,0.247
8XC,C2,2,158.232,158.64,158.436,0.288
8XC,C2',2,78.921,80.759,79.840,1.300
8XC,C3',2,77.043,78.562,77.803,1.074
8XC,C4,2,167.597,167.871,167.734,0.194
8XC,C4',2,82.721,84.213,83.467,1.055
8XC,C5,2,96.106,96.139,96.123,0.023
8XC,C5',2,61.212,63.561,62.387,1.661
8XC,C6,2,142.248,142.575,142.412,0.231
8XC,H1',2,5.224,5.239,5.232,0.011
8XC,H2',2,4.273,4.466,4.370,0.136
8XC,H3',2,4.193,4.323,4.258,0.092
8XC,H4',2,3.907,4.087,3.997,0.127
8XC,H41,2,8.15,8.302,8.226,0.107
8XC,H42,2,7.035,7.103,7.069,0.048
8XC,H5,2,5.776,5.881,5.829,0.074
8XC,H5',2,3.65,3.86,3.755,0.148
8XC,H5'',2,2.135,2.904,2.520,0.544
8XC,H6,2,7.069,7.107,7.088,0.027
8XC,P,2,-1.094,-0.317,-0.706,0.549
8XG,C1',2,92.397,92.51,92.454,0.080
8XG,C2',2,79.182,79.271,79.227,0.063
8XG,C3',2,79.385,79.855,79.620,0.332
8XG,C4,2,150.645,152.073,151.359,1.010
8XG,C4',2,85.246,85.605,85.426,0.254
8XG,C5,2,116.961,117.46,117.211,0.353
8XG,C5',2,60.987,64.378,62.683,2.398
8XG,C8,2,137.351,138.2,137.776,0.600
8XG,H1,2,13.128,13.368,13.248,0.170
8XG,H1',2,5.713,6.023,5.868,0.219
8XG,H2',2,4.277,4.623,4.450,0.245
8XG,H21,1,8.802,8.802,8.802,
8XG,H22,1,8.812,8.812,8.812,
8XG,H3',2,4.583,4.69,4.637,0.076
8XG,H4',2,4.621,4.685,4.653,0.045
8XG,H5',2,4.12,4.269,4.195,0.105
8XG,H5'',2,4.01,4.114,4.062,0.074
8XG,H8,2,7.623,7.944,7.784,0.227
8XG,P,1,0.23,0.23,0.230,
8XU,C1',2,93.336,93.449,93.393,0.080
8XU,C2,2,151.887,152.146,152.017,0.183
8XU,C2',2,78.612,79.258,78.935,0.457
8XU,C3',2,78.562,79.161,78.862,0.424
8XU,C4,2,169.208,169.24,169.224,0.023
8XU,C4',2,83.073,83.537,83.305,0.328
8XU,C5,2,101.921,102.116,102.019,0.138
8XU,C5',2,60.763,62.107,61.435,0.950
8XU,C6,2,142.602,142.774,142.688,0.122
8XU,H1',2,5.568,5.825,5.697,0.182
8XU,H2',2,4.633,4.654,4.644,0.015
8XU,H3,2,14.011,14.163,14.087,0.107
8XU,H3',2,4.442,4.539,4.491,0.069
8XU,H4',2,4.136,4.332,4.234,0.139
8XU,H5,2,5.795,5.866,5.831,0.050
8XU,H5',2,3.763,4.021,3.892,0.182
8XU,H5'',2,2.276,2.94,2.608,0.470
8XU,H6,2,7.277,7.523,7.400,0.174
8XU,P,2,-1.332,-0.705,-1.019,0.443
8YN,H1',1,5.90,5.90,5.900,
8YN,H2',1,1.41,1.41,1.410,
8YN,H2'',1,1.95,1.95,1.950,
8YN,H41,1,6.10,6.10,6.100,
8YN,H42,1,8.67,8.67,8.670,
8YN,H6,1,7.03,7.03,7.030,
9F0,H10,2,6.701,6.976,6.839,0.194
9F0,H11,2,7.271,7.577,7.424,0.216
9F0,H13,2,7.271,7.577,7.424,0.216
9F0,H14,2,6.701,6.976,6.839,0.194
9F0,H15,2,6.432,6.570,6.501,0.098
9F0,H16,2,7.280,7.893,7.587,0.433
9F0,H18,2,7.280,7.893,7.587,0.433
9F0,H19,2,6.432,6.570,6.501,0.098
9F0,H23,2,6.781,7.454,7.118,0.476
9F0,H24,2,7.983,8.130,8.057,0.104
9F0,H26,2,7.983,8.130,8.057,0.104
9F0,H27,2,6.781,7.454,7.118,0.476
9F0,H28,2,7.104,7.654,7.379,0.389
9F0,H29,2,8.572,8.668,8.620,0.068
9F0,H31,2,8.572,8.668,8.620,0.068
9F0,H32,2,7.104,7.654,7.379,0.389
9F0,H33,2,7.244,7.661,7.453,0.295
9F0,H34,2,8.322,8.546,8.434,0.158
9F0,H36,2,8.322,8.546,8.434,0.158
9F0,H37,2,7.244,7.661,7.453,0.295
9F0,H41,2,5.660,5.745,5.703,0.060
9F0,H42,2,5.660,5.745,5.703,0.060
9F0,H43,2,5.429,5.486,5.458,0.040
9F0,H44,2,5.429,5.486,5.458,0.040
9F0,H45,2,6.720,6.803,6.762,0.059
9F0,H46,2,6.720,6.803,6.762,0.059
9F0,H47,2,5.983,6.095,6.039,0.079
9F0,H48,2,5.983,6.095,6.039,0.079
9F0,H49,2,6.720,6.803,6.762,0.059
9F0,H5,2,5.803,6.772,6.288,0.685
9F0,H50,2,2.988,3.014,3.001,0.018
9F0,H51,2,2.794,2.813,2.804,0.013
9F0,H52,2,2.794,2.813,2.804,0.013
9F0,H53,2,2.988,3.014,3.001,0.018
9F0,H54,2,2.988,3.014,3.001,0.018
9F0,H55,2,2.794,2.813,2.804,0.013
9F0,H56,2,2.794,2.813,2.804,0.013
9F0,H57,2,2.988,3.014,3.001,0.018
9F0,H58,2,2.988,3.014,3.001,0.018
9F0,H59,2,2.794,2.813,2.804,0.013
9F0,H6,2,6.634,7.641,7.138,0.712
9F0,H60,2,2.988,3.014,3.001,0.018
9F0,H61,2,2.794,2.813,2.804,0.013
9F0,H8,2,6.634,7.641,7.138,0.712
9F0,H9,2,5.803,6.772,6.288,0.685
9F0,H90,2,5.562,5.649,5.606,0.062
9F0,H91,2,6.193,6.242,6.218,0.035
9F0,H92,2,6.193,6.242,6.218,0.035
9F0,H9L,2,3.234,3.261,3.248,0.019
9F0,H9M,2,2.935,2.966,2.951,0.022
9F0,H9N,2,2.935,2.966,2.951,0.022
9F0,H9O,2,3.234,3.261,3.248,0.019
9F0,H9P,2,3.234,3.261,3.248,0.019
9F0,H9Q,2,2.935,2.966,2.951,0.022
9F0,H9R,2,2.935,2.966,2.951,0.022
9F0,H9S,2,3.234,3.261,3.248,0.019
9F0,H9T,2,3.234,3.261,3.248,0.019
9F0,H9U,2,2.935,2.966,2.951,0.022
9F0,H9V,2,3.234,3.261,3.248,0.019
9F0,H9W,2,2.935,2.966,2.951,0.022
9F0,H9X,2,5.800,5.885,5.843,0.060
9F0,H9Y,2,5.800,5.885,5.843,0.060
9F0,H9Z,2,5.562,5.649,5.606,0.062
9KK,HA,1,5.434,5.434,5.434,
9KK,HB2,1,1.522,1.522,1.522,
9KK,HB3,1,1.926,1.926,1.926,
9KK,QD,1,1.242,1.242,1.242,
9KK,QE,1,0.820,0.820,0.820,
9KK,QG,1,1.074,1.074,1.074,
9KK,QM,1,3.481,3.481,3.481,
9T5,C83,1,152.473,152.473,152.473,
9T5,CM8,1,12.444,12.444,12.444,
9T5,H83,2,8.968,8.974,8.971,0.004
9T5,H881,2,2.773,2.773,2.773,0.000
9T8,C03,1,55.376,55.376,55.376,
9T8,C04,1,24.155,24.155,24.155,
9T8,H031,4,3.134,3.151,3.143,0.007
9T8,H032,4,3.170,3.190,3.175,0.010
9T8,H041,4,1.938,1.949,1.943,0.005
9T8,H042,4,2.126,2.144,2.137,0.008
9T8,H051,3,2.952,2.980,2.969,0.015
9T8,H052,3,3.612,3.626,3.619,0.007
9T8,H071,3,1.617,1.669,1.650,0.029
9T8,H072,3,2.055,2.154,2.096,0.052
9T8,H081,3,2.886,2.892,2.889,0.003
9T8,H082,3,3.779,3.794,3.788,0.008
9T8,H1,3,9.138,9.246,9.180,0.058
9T8,HN02,3,8.094,8.160,8.130,0.033
9TK,C83,1,130.158,130.158,130.158,
9TK,C84,1,124.398,124.398,124.398,
9TK,C88,1,35.552,35.552,35.552,
9TK,H83,2,7.170,7.179,7.175,0.006
9TK,H84,2,7.056,7.057,7.057,0.001
9TK,H881,2,3.962,3.963,3.963,0.001
9U2,C83,1,151.886,151.886,151.886,
9U2,C85,1,27.604,27.604,27.604,
9U2,CM8,1,25.154,25.154,25.154,
9U2,CM9,1,24.496,24.496,24.496,
9U2,H83,2,8.859,8.868,8.864,0.006
9U2,H85,2,4.138,4.143,4.141,0.004
9U2,H881,2,1.287,1.290,1.289,0.002
9U2,H991,2,1.531,1.535,1.533,0.003
9XQ,1HD,1,8.038,8.038,8.038,
9XQ,2HD,1,7.864,7.864,7.864,
9XQ,2HE,1,7.560,7.560,7.560,
9XQ,3HE,1,9.343,9.343,9.343,
9XQ,HZ,1,7.475,7.475,7.475,
A2G,C1,22,99.600,103.432,101.448,0.757
A2G,C2,22,51.393,54.930,52.577,0.619
A2G,C3,22,69.439,79.030,71.421,2.135
A2G,C4,22,70.016,79.223,72.592,2.964
A2G,C5,22,71.278,77.561,74.064,0.995
A2G,C6,22,61.598,68.894,63.909,1.393
A2G,C7,2,176.82,177.608,177.214,0.557
A2G,C8,19,24.737,25.23,25.068,0.159
A2G,H1,23,4.447,5.160,4.867,0.145
A2G,H14,15,3.533,3.75,3.717,0.052
A2G,H2,22,3.985,4.460,4.108,0.108
A2G,H3,22,3.698,4.238,3.910,0.119
A2G,H4,22,3.889,4.278,3.990,0.084
A2G,H5,22,3.564,4.412,4.042,0.184
A2G,H6,16,3.71,3.848,3.738,0.031
A2G,H61,6,3.570,3.756,3.658,0.067
A2G,H62,6,3.491,3.711,3.605,0.074
A2G,H8,20,1.948,2.06,2.015,0.029
A2G,H81,1,2.034,2.034,2.034,
A2G,H82,1,2.034,2.034,2.034,
A2G,H83,1,2.034,2.034,2.034,
A2G,H8A,15,1.948,2.06,2.022,0.029
A2G,H8B,15,1.948,2.06,2.022,0.029
A2G,HN2,22,7.49,8.483,7.887,0.308
A2G,N2,14,121.80,122.90,122.461,0.403
A2M,H1',7,5.75,6.30,6.129,0.186
A2M,H2,7,7.80,8.41,8.247,0.203
A2M,H2',7,3.72,4.35,4.181,0.212
A2M,H3',7,4.02,4.58,4.201,0.203
A2M,H4',7,4.27,4.61,4.464,0.101
A2M,H61,7,8.85,9.49,9.199,0.212
A2M,H62,7,7.43,8.43,8.001,0.344
A2M,H8,7,7.30,8.39,7.614,0.375
A2M,HM'1,7,3.63,3.90,3.806,0.087
A2M,HM'2,7,3.63,3.90,3.806,0.087
A2M,HM'3,7,3.63,3.90,3.806,0.087
A3A,C1',1,88.580,88.580,88.580,
A3A,C3',1,78.110,78.110,78.110,
A3A,C8A,1,141.36,141.36,141.360,
A3A,H1',1,5.937,5.937,5.937,
A3A,H2',1,2.654,2.654,2.654,
A3A,H2'',1,2.564,2.564,2.564,
A3A,H3',1,5.017,5.017,5.017,
A3A,H4',1,4.949,4.949,4.949,
A3A,H5',1,4.140,4.140,4.140,
A3A,H5'',1,4.128,4.128,4.128,
A3A,H8A,1,7.901,7.901,7.901,
A3A,P,1,0.186,0.186,0.186,
A44,H1',4,6.069,6.183,6.126,0.066
A44,H2,4,7.202,7.791,7.497,0.340
A44,H2',4,4.449,4.563,4.506,0.066
A44,H3',4,4.327,4.681,4.504,0.204
A44,H61,4,7.949,8.382,8.166,0.250
A44,H62,4,6.724,6.752,6.738,0.016
A44,H8,4,7.386,7.662,7.524,0.159
A44,HCA*,4,4.203,4.316,4.260,0.065
A44,HCD*,4,3.472,3.506,3.489,0.020
A5O,H1',2,5.806,6.012,5.909,0.146
A5O,H2,2,7.284,7.402,7.343,0.083
A5O,H2',2,4.615,4.805,4.710,0.134
A5O,H3',1,4.452,4.452,4.452,
A5O,H4',1,4.365,4.365,4.365,
A5O,H8,2,7.327,7.679,7.503,0.249
AA4,C,3,167.962,168.814,168.381,0.426
AA4,CA,3,128.979,129.727,129.456,0.415
AA4,CB,3,135.931,136.488,136.186,0.281
AA4,CG2,3,14.129,14.283,14.230,0.087
AA4,H,5,8.089,9.767,8.995,0.800
AA4,HA,2,4.234,4.314,4.274,0.057
AA4,HB,3,6.623,6.668,6.652,0.025
AA4,HB2,2,1.765,1.980,1.873,0.152
AA4,HB3,2,1.588,1.874,1.731,0.202
AA4,HG1,1,1.593,1.593,1.593,
AA4,HG2,1,1.920,1.920,1.920,
AA4,HG21,3,1.426,1.781,1.641,0.189
AA4,HG3,1,1.842,1.842,1.842,
AAC,C2,1,43.2,43.2,43.200,
AAC,C4,1,23.1,23.1,23.100,
AAC,HC41,2,1.97,2.07,2.020,0.071
AAC,HC42,2,1.97,2.07,2.020,0.071
AAC,HC43,2,1.97,2.07,2.020,0.071
AAR,CA,2,53.387,53.473,53.430,0.061
AAR,CB,2,28.071,28.120,28.096,0.035
AAR,H,8,7.55,8.871,8.207,0.494
AAR,HA,7,3.965,4.509,4.213,0.203
AAR,HB2,7,1.556,2.99,1.883,0.503
AAR,HB3,7,1.630,1.933,1.781,0.115
AAR,HD2,7,3.152,3.194,3.170,0.016
AAR,HD3,7,3.152,3.205,3.176,0.021
AAR,HE,7,6.881,7.242,7.149,0.123
AAR,HG2,7,1.504,1.89,1.679,0.157
AAR,HG3,7,1.504,1.865,1.666,0.133
AAR,HT1,3,7.152,7.467,7.308,0.158
AAR,HT2,3,7.406,7.911,7.715,0.271
AAR,N,2,123.462,123.467,123.465,0.004
ABA,C,1,176.762,176.762,176.762,
ABA,CA,38,55.207,61.930,57.806,1.668
ABA,CB,40,27.079,50.966,34.462,7.749
ABA,CG,12,18.613,131.485,84.176,52.023
ABA,CG2,2,21.092,21.173,21.133,0.057
ABA,H,60,7.08,9.581,8.331,0.453
ABA,HA,68,3.48,5.24,4.481,0.367
ABA,HB,18,3.254,3.904,3.560,0.201
ABA,HB2,43,1.563,3.854,2.169,0.638
ABA,HB3,36,1.61,2.728,1.976,0.421
ABA,HG,5,0.74,5.544,2.748,2.533
ABA,HG1,43,0.557,5.747,1.632,1.646
ABA,HG2,32,0.55,5.747,1.759,1.891
ABA,HG21,1,1.3239,1.3239,1.324,
ABA,HG3,32,0.69,5.747,2.310,2.198
ABA,HN,6,7.66,8.99,8.266,0.529
ABA,N,17,111.053,124.479,118.558,3.495
ABA,QG,4,1.296,1.356,1.328,0.027
ABA_2,CA,1,56.408,56.408,56.408,
ABA_2,H,1,7.867,7.867,7.867,
ABA_2,HA,1,4.276,4.276,4.276,
ABA_2,HB1,1,3.250,3.250,3.250,
ABA_2,HB2,1,3.066,3.066,3.066,
ABA_2,N,1,112.563,112.563,112.563,
ABP,H1',1,6.44,6.44,6.440,
ABP,H2,1,7.93,7.93,7.930,
ABP,H2',1,3.23,3.23,3.230,
ABP,H2'',1,3.12,3.12,3.120,
ABP,H3',1,5.13,5.13,5.130,
ABP,H4',1,4.58,4.58,4.580,
ABP,H61,1,7.36,7.36,7.360,
ABP,H8,1,8.73,8.73,8.730,
ABP,HC21,1,6.14,6.14,6.140,
ABP,HC25,1,6.47,6.47,6.470,
ABP,HC27,1,6.91,6.91,6.910,
ABP,HC30,1,7.59,7.59,7.590,
ABP,HC32,1,7.66,7.66,7.660,
ABP,HC34,1,7.85,7.85,7.850,
ABP,HC40,1,6.95,6.95,6.950,
ABP,HC42,1,7.17,7.17,7.170,
ABP,HC44,1,7.83,7.83,7.830,
ABP,HC47,1,5.11,5.11,5.110,
ABP,HC51,1,3.85,3.85,3.850,
ABP,HC55,1,4.55,4.55,4.550,
ABU,C,4,174.3,176.8,175.850,1.168
ABU,CA,6,57.902,63.5,60.162,2.282
ABU,CB,7,24.964,50.5,38.523,11.519
ABU,CG,4,22.96,24,23.415,0.431
ABU,H,9,8.229,9.55,8.712,0.516
ABU,HA,6,4.559,5.11,4.793,0.238
ABU,HA1,3,3.444,3.448,3.446,0.002
ABU,HA2,3,2.754,2.769,2.762,0.008
ABU,HB1,6,1.555,2.163,1.699,0.233
ABU,HB2,6,1.663,2.300,2.077,0.321
ABU,HG,2,0.814,0.814,0.814,0.000
ABU,HG1,3,1.583,2.173,1.953,0.322
ABU,HG2,3,2.480,2.509,2.496,0.015
ABU,N,4,104.5,121,114.025,6.912
ABUX,C,2,175.20,175.20,175.200,0.000
ABUX,CA,3,61.00,62.40,61.600,0.721
ABUX,CB,3,46.70,50.30,48.867,1.909
ABUX,CG1,2,22.70,22.80,22.750,0.071
ABUX,H,3,8.55,9.37,8.867,0.441
ABUX,HA,3,4.80,4.94,4.867,0.070
ABUX,HB,3,3.48,3.59,3.517,0.064
ABUX,HG1,3,1.34,1.41,1.363,0.040
ABUX,N,3,113.12,121.36,117.147,4.123
AC5,H1,1,8.463,8.463,8.463,
AC5,HB11,1,1.707,1.707,1.707,
AC5,HB21,1,2.127,2.127,2.127,
AC5,HB22,1,1.827,1.827,1.827,
AC5,HG21,1,1.647,1.647,1.647,
AC5,HG22,1,1.532,1.532,1.532,
ACA,C2,3,38.103,38.237,38.158,0.070
ACA,C3,3,27.300,27.853,27.515,0.296
ACA,C4,3,28.518,28.699,28.581,0.102
ACA,C5,3,30.828,31.157,30.939,0.189
ACA,C6,3,42.178,42.216,42.196,0.019
ACA,H21,4,2.258,2.326,2.290,0.033
ACA,H22,4,2.313,2.384,2.347,0.038
ACA,H31,4,1.577,1.656,1.612,0.040
ACA,H32,4,1.577,1.675,1.622,0.051
ACA,H41,4,1.276,1.353,1.315,0.041
ACA,H42,4,1.276,1.353,1.315,0.041
ACA,H51,4,1.480,1.550,1.514,0.038
ACA,H52,4,1.480,1.550,1.514,0.038
ACA,H61,4,3.089,3.214,3.160,0.062
ACA,H62,4,3.179,3.214,3.203,0.016
ACA,HN61,4,7.525,7.863,7.678,0.176
ACA,N6,2,120.306,120.640,120.473,0.236
ACD,H101,1,2.173,2.173,2.173,
ACD,H102,1,3.126,3.126,3.126,
ACD,H11,1,5.585,5.585,5.585,
ACD,H12,1,4.923,4.923,4.923,
ACD,H131,1,2.098,2.098,2.098,
ACD,H132,1,2.318,2.318,2.318,
ACD,H14,1,5.365,5.365,5.365,
ACD,H15,1,5.667,5.667,5.667,
ACD,H161,1,1.342,1.342,1.342,
ACD,H162,1,1.787,1.787,1.787,
ACD,H171,1,0.946,0.946,0.946,
ACD,H172,1,1.212,1.212,1.212,
ACD,H181,1,0.885,0.885,0.885,
ACD,H182,1,1.161,1.161,1.161,
ACD,H191,1,0.977,0.977,0.977,
ACD,H192,1,1.177,1.177,1.177,
ACD,H201,1,0.683,0.683,0.683,
ACD,H202,1,0.683,0.683,0.683,
ACD,H203,1,0.683,0.683,0.683,
ACD,H21,1,2.052,2.052,2.052,
ACD,H22,1,2.052,2.052,2.052,
ACD,H31,1,1.198,1.198,1.198,
ACD,H32,1,1.379,1.379,1.379,
ACD,H41,1,1.811,1.811,1.811,
ACD,H42,1,1.364,1.364,1.364,
ACD,H5,1,4.998,4.998,4.998,
ACD,H6,1,5.120,5.120,5.120,
ACD,H71,1,2.761,2.761,2.761,
ACD,H72,1,2.896,2.896,2.896,
ACD,H8,1,5.380,5.380,5.380,
ACD,H9,1,5.544,5.544,5.544,
ACE,C,4,24.123,176.007,99.193,86.633
ACE,C1,1,176.04,176.04,176.040,
ACE,C2,1,23.87,23.87,23.870,
ACE,CH3,28,21.444,26.034,24.426,0.993
ACE,CM,1,24.2,24.2,24.200,
ACE,H,1,1.98,1.98,1.980,
ACE,H1,76,1.776,2.222,2.048,0.079
ACE,H2,72,1.776,2.222,2.044,0.081
ACE,H21,3,2.05,2.06,2.053,0.006
ACE,H22,2,2.05,2.05,2.050,0.000
ACE,H23,2,2.05,2.05,2.050,0.000
ACE,H3,69,1.776,2.222,2.047,0.081
ACE,HA,1,2.362,2.362,2.362,
ACE,QA,1,1.981,1.981,1.981,
ACT,CH3,2,25.566,25.566,25.566,0.000
ACT,H1,2,1.881,1.888,1.885,0.005
ACT,H2,2,1.881,1.888,1.885,0.005
ACT,H3,2,1.881,1.888,1.885,0.005
ADN,C1',1,91.382,91.382,91.382,
ADN,C2,1,150.7,150.7,150.700,
ADN,C2',2,75.36,75.523,75.442,0.115
ADN,C3',1,74.653,74.653,74.653,
ADN,C4',1,87.823,87.823,87.823,
ADN,C5',1,63.679,63.679,63.679,
ADN,C8,2,139.1,143.18,141.140,2.885
ADN,H1',2,5.982,6.044,6.013,0.044
ADN,H2,2,7.318,8.178,7.748,0.608
ADN,H2',2,4.864,4.919,4.892,0.039
ADN,H3',2,4.697,4.707,4.702,0.007
ADN,H4',1,4.425,4.425,4.425,
ADN,H5'1,1,3.921,3.921,3.921,
ADN,H5'2,1,3.825,3.825,3.825,
ADN,H8,2,8.31,8.554,8.432,0.173
AF2,H1',2,6.045,6.080,6.063,0.025
AF2,H2,2,7.323,7.883,7.603,0.396
AF2,H2',2,5.236,5.364,5.300,0.091
AF2,H3',2,4.346,4.754,4.550,0.288
AF2,H4',2,4.553,4.614,4.584,0.043
AF2,H5',2,4.138,4.194,4.166,0.040
AF2,H5'A,2,4.441,4.479,4.460,0.027
AF2,H8,2,7.363,7.598,7.481,0.166
AF2,HN6,2,6.935,7.066,7.001,0.093
AF2,HN6A,1,7.705,7.705,7.705,
AFC,CA,1,40.8,40.8,40.800,
AFC,CB,1,46.1,46.1,46.100,
AFC,CC,1,33.7,33.7,33.700,
AFC,CD,1,31.3,31.3,31.300,
AFC,CE,1,29.1,29.1,29.100,
AFC,CM,1,13.6,13.6,13.600,
AFC,H,1,7.30,7.30,7.300,
AFC,HA2,1,2.27,2.27,2.270,
AFC,HA3,1,2.27,2.27,2.270,
AFC,HB,1,3.97,3.97,3.970,
AFC,HC2,1,1.35,1.35,1.350,
AFC,HC3,1,1.37,1.37,1.370,
AFC,HD2,1,1.19,1.19,1.190,
AFC,HD3,1,1.19,1.19,1.190,
AFC,HE2,1,1.19,1.19,1.190,
AFC,HE3,1,1.19,1.19,1.190,
AFC,HF2,1,1.19,1.19,1.190,
AFC,HF3,1,1.19,1.19,1.190,
AFC,HG2,1,1.19,1.19,1.190,
AFC,HG3,1,1.19,1.19,1.190,
AFC,HH2,1,1.19,1.19,1.190,
AFC,HH3,1,1.19,1.19,1.190,
AFC,HI2,1,1.19,1.19,1.190,
AFC,HI3,1,1.19,1.19,1.190,
AFC,HJ2,1,1.19,1.19,1.190,
AFC,HJ3,1,1.19,1.19,1.190,
AFC,HK2,1,1.19,1.19,1.190,
AFC,HK3,1,1.19,1.19,1.190,
AFC,HL2,1,1.19,1.19,1.190,
AFC,HL3,1,1.19,1.19,1.190,
AFC,HM2,1,0.85,0.85,0.850,
AFN,H2A1,1,1.59,1.59,1.590,
AFN,H2A2,1,2.05,2.05,2.050,
AFN,H31,1,2.33,2.33,2.330,
AFN,H32,1,2.45,2.45,2.450,
AFN,H5B,1,6.06,6.06,6.060,
AFN,H6A,1,6.63,6.63,6.630,
AFN,H8A,1,6.26,6.26,6.260,
AFN,H9,1,5.91,5.91,5.910,
AFN,H9A,1,3.93,3.93,3.930,
AFN,HM1,1,3.63,3.63,3.630,
AFN,HM2,1,3.63,3.63,3.630,
AFN,HM3,1,3.63,3.63,3.630,
AIB,C,22,173.725,180.8,177.759,1.919
AIB,CA,20,56.707,59.6,58.299,0.938
AIB,CB1,37,23.099,29.9,26.337,2.092
AIB,CB2,37,21.878,28.937,25.701,1.774
AIB,H,64,7.229,9.120,8.107,0.497
AIB,HB1,4,1.50,1.63,1.575,0.066
AIB,HB11,48,1.30,1.706,1.480,0.082
AIB,HB12,34,1.30,1.706,1.482,0.095
AIB,HB13,34,1.30,1.706,1.482,0.095
AIB,HB2,4,1.45,1.53,1.505,0.038
AIB,HB21,52,1.30,1.795,1.509,0.097
AIB,HB22,39,1.30,1.795,1.523,0.100
AIB,HB23,39,1.30,1.795,1.523,0.100
AIB,N,23,123.383,133.272,128.515,2.791
AIB,QB1,8,1.106,1.603,1.403,0.181
AIB,QB2,8,1.337,1.507,1.430,0.065
ALAS,C,6,173.30,178.0,175.017,1.599
ALAS,CA,7,54.60,59.50,56.386,1.622
ALAS,CB,7,33.80,40.80,37.271,2.326
ALAS,H,7,7.78,8.85,8.191,0.347
ALAS,HA,7,3.90,4.57,4.387,0.274
ALAS,HB2,7,3.08,3.76,3.354,0.282
ALAS,HB3,7,2.80,3.08,2.929,0.108
ALAS,N,7,118.22,126.25,121.201,2.587
ALA_SUC,H,1,8.53,8.53,8.530,
ALA_SUC,HA,1,4.23,4.23,4.230,
ALA_SUC,HB1,1,1.4,1.4,1.400,
ALA_SUC,HB2,1,1.4,1.4,1.400,
ALA_SUC,HB3,1,1.4,1.4,1.400,
ALA_SUC,SUC_HA2,1,2.55,2.55,2.550,
ALA_SUC,SUC_HA3,1,2.56,2.56,2.560,
ALF,F1,1,-137.030,-137.030,-137.030,
ALF,F2,1,-130.660,-130.660,-130.660,
ALF,F3,1,-144.000,-144.000,-144.000,
ALF,F4,1,-140.670,-140.670,-140.670,
ALL,H1',1,5.231,5.231,5.231,
ALL,H2',1,3.420,3.420,3.420,
ALL,H3',1,4.051,4.051,4.051,
ALL,H4',1,3.555,3.555,3.555,
ALL,H5',1,2.783,2.783,2.783,
ALL,H6'1,1,2.643,2.643,2.643,
ALL,H6'2,1,2.982,2.982,2.982,
ALO,H,1,7.92,7.92,7.920,
ALO,HA,1,4.13,4.13,4.130,
ALO,HB,1,3.93,3.93,3.930,
ALO,HG1,1,1.19,1.19,1.190,
ALY,C,1,173.85,173.85,173.850,
ALY,CA,2,56.0600,57.97,57.015,1.351
ALY,CB,3,30.43,33.0700,32.140,1.483
ALY,CD,4,30.2400,31.27,30.565,0.477
ALY,CE,3,41.5000,42.0000,41.750,0.250
ALY,CG,4,22.13,25.2200,24.300,1.455
ALY,CH,1,176.40,176.40,176.400,
ALY,CH3,1,24.70,24.70,24.700,
ALY,H,15,7.658,8.82,8.147,0.277
ALY,HA,8,4.163,4.357,4.269,0.061
ALY,HB1,3,1.702,1.753,1.736,0.029
ALY,HB2,15,1.334,2.05,1.667,0.165
ALY,HB3,12,1.478,2.05,1.746,0.170
ALY,HCA,9,3.120,4.343,3.855,0.481
ALY,HD1,4,1.471,1.629,1.525,0.075
ALY,HD2,11,1.22,1.763,1.443,0.184
ALY,HD3,10,1.220,1.700,1.478,0.174
ALY,HE1,4,3.126,3.163,3.139,0.017
ALY,HE2,11,2.78,3.360,2.999,0.187
ALY,HE3,10,2.804,3.2100,3.004,0.140
ALY,HG1,3,1.377,1.476,1.410,0.057
ALY,HG2,17,0.12,1.446,1.230,0.314
ALY,HG3,13,0.12,1.409,1.187,0.346
ALY,HH31,6,1.672,2.094,1.853,0.172
ALY,HH32,6,1.672,2.094,1.853,0.172
ALY,HH33,6,1.672,2.094,1.853,0.172
ALY,HM1,1,2.072,2.072,2.072,
ALY,HN,1,8.4100,8.4100,8.410,
ALY,HZ,6,7.596,8.013,7.805,0.148
ALY,HZ1,7,7.950,8.056,7.993,0.042
ALY,HZ2,3,7.955,8.0240,7.995,0.036
ALY,HZ3,3,7.955,8.0240,7.995,0.036
ALY,N,1,118.38,118.38,118.380,
ALY,NZ,1,126.40,126.40,126.400,
AMD,H,1,7.43,7.43,7.430,
AMD,HN2,1,7.20,7.20,7.200,
AMD,N,1,108.8,108.8,108.800,
AMU,C1,2,97.4,97.4,97.400,0.000
AMU,C10,2,178.4,178.6,178.500,0.141
AMU,C11,2,21.5,21.5,21.500,0.000
AMU,C2,2,56.1,56.1,56.100,0.000
AMU,C3,2,82.7,82.7,82.700,0.000
AMU,C4,2,70.8,70.8,70.800,0.000
AMU,C5,2,75.8,75.8,75.800,0.000
AMU,C6,2,63.2,63.2,63.200,0.000
AMU,C7,2,176.9,177,176.950,0.071
AMU,C8,2,25.0,25.0,25.000,0.000
AMU,C9,2,80.8,80.8,80.800,0.000
AMU,H1,2,5.47,5.47,5.470,0.000
AMU,H11,2,1.42,1.42,1.420,0.000
AMU,H2,2,4.13,4.13,4.130,0.000
AMU,H3,2,3.79,3.79,3.790,0.000
AMU,H4,2,3.65,3.65,3.650,0.000
AMU,H5,2,3.95,3.95,3.950,0.000
AMU,H61,2,3.86,3.86,3.860,0.000
AMU,H62,2,3.86,3.86,3.860,0.000
AMU,H8,2,2.02,2.02,2.020,0.000
AMU,H9,2,4.23,4.23,4.230,0.000
AMU,HH2,1,8.49,8.49,8.490,
AMU,HN2,1,8.49,8.49,8.490,
AMU,N2,2,121.8,121.8,121.800,0.000
AOD,HA,4,3.477,4.191,3.890,0.305
AOD,HB2,4,1.227,1.556,1.423,0.139
AOD,HB3,4,1.227,1.556,1.423,0.139
AOD,HD2,2,0.73,1.132,0.931,0.284
AOD,HD3,2,0.73,1.132,0.931,0.284
AOD,HE2,3,1.168,1.372,1.300,0.114
AOD,HE3,3,1.168,1.372,1.300,0.114
AOD,HF2,3,2.208,2.328,2.286,0.067
AOD,HF3,3,2.208,2.328,2.286,0.067
AOD,HG2,4,0.814,1.254,1.052,0.188
AOD,HG3,4,0.814,1.254,1.052,0.188
AOD,HN,4,6.938,7.939,7.536,0.444
AOD,HY2,3,2.374,2.398,2.384,0.012
AOD,HY3,3,2.374,2.398,2.384,0.012
AOD,HZ1,3,0.913,0.918,0.915,0.003
AOD,HZ2,3,0.913,0.918,0.915,0.003
AOD,HZ3,3,0.913,0.918,0.915,0.003
AP7,C1',1,93.905,93.905,93.905,
AP7,C2,1,146.541,146.541,146.541,
AP7,C2',1,75.131,75.131,75.131,
AP7,C3',1,71.392,71.392,71.392,
AP7,C4',1,81.915,81.915,81.915,
AP7,C5',1,63.627,63.627,63.627,
AP7,C8,1,138.039,138.039,138.039,
AP7,H1,1,14.334,14.334,14.334,
AP7,H1',1,5.088,5.088,5.088,
AP7,H2,1,8.397,8.397,8.397,
AP7,H2',1,4.568,4.568,4.568,
AP7,H3',1,4.312,4.312,4.312,
AP7,H4',1,4.343,4.343,4.343,
AP7,H5',1,4.333,4.333,4.333,
AP7,H5'',1,4.152,4.152,4.152,
AP7,H61,1,12.837,12.837,12.837,
AP7,H62,1,10.924,10.924,10.924,
AP7,H8,1,6.400,6.400,6.400,
AP7,N1,1,153.289,153.289,153.289,
AP7,N3,1,219.666,219.666,219.666,
AP7,N6,1,105.892,105.892,105.892,
AP7,N7,1,245.925,245.925,245.925,
AP7,N9,1,173.198,173.198,173.198,
AP7,P,1,0.484,0.484,0.484,
APR,H'1,1,6.120,6.120,6.120,
APR,H2,1,8.207,8.207,8.207,
APR,H'4,1,4.328,4.328,4.328,
APR,H51,1,4.200,4.200,4.200,
APR,H52,1,4.200,4.200,4.200,
APR,H5R1,1,4.230,4.230,4.230,
APR,H5R2,1,4.230,4.230,4.230,
APR,H61,1,8.418,8.418,8.418,
APR,H62,1,8.418,8.418,8.418,
APR,H8,1,8.753,8.753,8.753,
APR,HR'3,1,3.950,3.950,3.950,
APR,HR'4,1,3.885,3.885,3.885,
AR1,1FOR_H1,1,7.703,7.703,7.703,
AR1,2MIM_H5,1,6.684,6.684,6.684,
AR1,2MIM_HNA,1,3.871,3.871,3.871,
AR1,3MIM_H5,1,7.626,7.626,7.626,
AR1,3MIM_HNA,1,4.062,4.062,4.062,
AR1,4MIM_H5,1,7.638,7.638,7.638,
AR1,4MIM_HNA,1,4.062,4.062,4.062,
AR1,TAI_H1,1,3.170,3.170,3.170,
AR1,TAI_H11,1,3.474,3.474,3.474,
AR1,TAI_H12,1,3.431,3.431,3.431,
AR1,TAI_H2,1,2.982,2.982,2.982,
AR1,TAI_H21,1,3.955,3.955,3.955,
AR1,TAI_H22,1,3.340,3.340,3.340,
ASH,C,1,175.0,175.0,175.000,
ASH,CA,1,50.4,50.4,50.400,
ASH,CB,1,40.3,40.3,40.300,
ASH,H,1,8.26,8.26,8.260,
ASH,HA,1,5.79,5.79,5.790,
ASH,HB2,1,1.92,1.92,1.920,
ASH,HB3,1,1.32,1.32,1.320,
ASH,N,1,125.7,125.7,125.700,
ATD,H1',1,6.083,6.083,6.083,
ATD,H2',1,2.876,2.876,2.876,
ATD,H2'',1,1.936,1.936,1.936,
ATD,H3,1,13.535,13.535,13.535,
ATD,H3',1,5.002,5.002,5.002,
ATD,H4',1,4.752,4.752,4.752,
ATD,H5',1,4.091,4.091,4.091,
ATD,H5'',1,3.876,3.876,3.876,
ATD,H6,1,7.531,7.531,7.531,
ATD,H71,1,1.567,1.567,1.567,
ATD,H72,1,1.567,1.567,1.567,
ATD,H73,1,1.567,1.567,1.567,
ATD,P,1,-2.14,-2.14,-2.140,
ATP,H1',4,5.930,6.38,6.119,0.189
ATP,H2,4,8.160,8.54,8.277,0.177
ATP,H2',3,3.543,4.758,4.174,0.609
ATP,H3',4,3.091,4.89,4.227,0.789
ATP,H4',4,4.06,4.345,4.186,0.138
ATP,H5',1,4.163,4.163,4.163,
ATP,H5'1,2,3.475,4.155,3.815,0.481
ATP,H51',1,4.72,4.72,4.720,
ATP,H5'2,2,3.586,4.256,3.921,0.474
ATP,H52',1,4.51,4.51,4.510,
ATP,H8,4,7.175,9.17,8.327,0.834
AUZ,H21,1,6.99,6.99,6.990,
AUZ,H22,1,7.00,7.00,7.000,
AUZ,H23,1,7.00,7.00,7.000,
AUZ,H24,1,6.99,6.99,6.990,
AUZ,H31,1,8.01,8.01,8.010,
AUZ,H32,1,7.91,7.91,7.910,
AUZ,H33,1,7.91,7.91,7.910,
AUZ,H34,1,8.01,8.01,8.010,
AUZ,H41,1,7.83,7.83,7.830,
AUZ,H42,1,7.83,7.83,7.830,
AUZ,H43,1,7.83,7.83,7.830,
AUZ,H44,1,7.83,7.83,7.830,
AUZ,H611,1,1.94,1.94,1.940,
AUZ,H612,1,1.94,1.94,1.940,
AUZ,H613,1,1.94,1.94,1.940,
AUZ,H621,1,2.20,2.20,2.200,
AUZ,H622,1,2.20,2.20,2.200,
AUZ,H623,1,2.20,2.20,2.200,
AUZ,H631,1,2.20,2.20,2.200,
AUZ,H632,1,2.20,2.20,2.200,
AUZ,H633,1,2.20,2.20,2.200,
AUZ,H641,1,1.94,1.94,1.940,
AUZ,H642,1,1.94,1.94,1.940,
AUZ,H643,1,1.94,1.94,1.940,
AYA,C,1,177.10,177.10,177.100,
AYA,CA,1,52.80,52.80,52.800,
AYA,CB,1,8.90,8.90,8.900,
AYA,CM,1,24.30,24.30,24.300,
AYA,CT,1,176.60,176.60,176.600,
AYA,H,5,8.16,8.42,8.302,0.098
AYA,HA,5,4.19,4.28,4.234,0.033
AYA,HB,1,1.40,1.40,1.400,
AYA,HB1,4,1.25,1.39,1.308,0.062
AYA,HB2,4,1.25,1.39,1.308,0.062
AYA,HB3,4,1.25,1.39,1.308,0.062
AYA,HM,1,2.02,2.02,2.020,
AYA,HM1,1,1.95,1.95,1.950,
AYA,HM2,1,1.95,1.95,1.950,
AYA,HM3,1,1.95,1.95,1.950,
AYA,N,1,129.10,129.10,129.100,
AZH,HA,1,3.095,3.095,3.095,
AZH,HB1C,1,1.663,1.663,1.663,
AZH,HB2C,1,1.663,1.663,1.663,
AZH,HG1C,1,1.807,1.807,1.807,
AZH,HG2C,1,1.807,1.807,1.807,
AZH,HN1,1,8.161,8.161,8.161,
AZH,N,1,125.443,125.443,125.443,
AZW,C2A,1,126.50,126.50,126.500,
AZW,C2B,1,126.98,126.98,126.980,
AZW,C3',1,66.19,66.19,66.190,
AZW,C3A,1,122.64,122.64,122.640,
AZW,C3B,1,121.67,121.67,121.670,
AZW,C5',1,66.54,66.54,66.540,
AZW,C5A,1,122.64,122.64,122.640,
AZW,C5B,1,121.67,121.67,121.670,
AZW,C6A,1,126.50,126.50,126.500,
AZW,C6B,1,126.98,126.98,126.980,
AZW,H2A,1,7.46,7.46,7.460,
AZW,H2B,1,7.06,7.06,7.060,
AZW,H3',1,4.97,4.97,4.970,
AZW,H3'',1,4.64,4.64,4.640,
AZW,H3A,1,7.57,7.57,7.570,
AZW,H3B,1,7.24,7.24,7.240,
AZW,H5',1,5.25,5.25,5.250,
AZW,H5'',1,5.07,5.07,5.070,
AZW,H5A,1,7.57,7.57,7.570,
AZW,H5B,1,7.24,7.24,7.240,
AZW,H6A,1,7.46,7.46,7.460,
AZW,H6B,1,7.06,7.06,7.060,
B,C1,1,99.70,99.70,99.700,
B,C2,1,66.80,66.80,66.800,
B,C3,1,81.60,81.60,81.600,
B,C4,1,67.40,67.40,67.400,
B,C5,1,70.60,70.60,70.600,
B,C6,1,81.50,81.50,81.500,
B,C7,1,60.90,60.90,60.900,
B,H1,1,5.560,5.560,5.560,
B,H2,1,4.160,4.160,4.160,
B,H3,1,3.800,3.800,3.800,
B,H4,1,3.530,3.530,3.530,
B,H5,1,3.940,3.940,3.940,
B,H6,1,3.790,3.790,3.790,
B,H71,1,3.710,3.710,3.710,
B,H72,1,3.850,3.850,3.850,
B0I,HB11,1,3.75,3.75,3.750,
B0I,HB12,1,3.64,3.64,3.640,
B0I,HD1,1,7.29,7.29,7.290,
B0I,HD2,1,7.12,7.12,7.120,
B1P,H5,2,4.428,4.439,4.434,0.008
B1P,H6,2,2.03,2.471,2.251,0.312
B1P,H7,2,2.048,2.112,2.080,0.045
B1P,H8,2,5.472,5.745,5.609,0.193
B27,CA,1,53.54,53.54,53.540,
B27,CB,1,66.36,66.36,66.360,
B27,CG2,1,19.82,19.82,19.820,
B27,H,1,6.82,6.82,6.820,
B27,HA,2,3.74,4.0000,3.870,0.184
B27,HB,2,3.8000,3.92,3.860,0.085
B27,HG2,1,1.0000,1.0000,1.000,
B27,HG21,1,1.29,1.29,1.290,
B27,HG22,1,1.29,1.29,1.290,
B27,HG23,1,1.29,1.29,1.290,
B27,HX,1,3.0000,3.0000,3.000,
B27,N,1,112.70,112.70,112.700,
B3D,H,2,8.144,8.451,8.298,0.217
B3D,HA1,2,2.295,2.366,2.331,0.050
B3D,HA2,2,2.329,2.447,2.388,0.083
B3D,HB,2,4.503,4.650,4.577,0.104
B3D,HG2,2,2.359,2.362,2.361,0.002
B3D,HG3,2,2.362,2.414,2.388,0.037
B3E,H,1,7.849,7.849,7.849,
B3E,HA1,1,2.498,2.498,2.498,
B3E,HB,1,4.189,4.189,4.189,
B3E,HD3,1,2.381,2.381,2.381,
B3E,HG3,1,1.890,1.890,1.890,
B3K,H,4,6.900,7.939,7.543,0.451
B3K,HA1,4,2.359,2.466,2.409,0.054
B3K,HA2,2,2.434,2.526,2.480,0.065
B3K,HB,4,3.987,4.171,4.097,0.078
B3K,HD2,2,1.355,1.390,1.373,0.025
B3K,HD3,4,1.355,1.436,1.399,0.035
B3K,HE2,2,1.515,1.588,1.552,0.052
B3K,HE3,4,1.515,1.661,1.604,0.067
B3K,HF1,4,2.925,2.990,2.971,0.031
B3K,HF2,2,2.925,2.985,2.955,0.042
B3K,HG2,2,1.536,1.630,1.583,0.066
B3K,HG3,4,1.536,1.630,1.573,0.040
B3K,HNZ1,2,7.538,7.542,7.540,0.003
B3L,BT,1,2.152,2.152,2.152,
B3L,H,1,6.867,6.867,6.867,
B3L,HA,1,4.223,4.223,4.223,
B3L,HB2,1,1.171,1.171,1.171,
B3L,HB3,1,1.171,1.171,1.171,
B3L,HD11,1,0.805,0.805,0.805,
B3L,HD12,1,0.805,0.805,0.805,
B3L,HD13,1,0.805,0.805,0.805,
B3L,HD21,1,0.805,0.805,0.805,
B3L,HD22,1,0.805,0.805,0.805,
B3L,HD23,1,0.805,0.805,0.805,
B3L,HG,1,1.413,1.413,1.413,
B3Q,H11,1,6.907,6.907,6.907,
B3Q,H12,1,7.663,7.663,7.663,
B3Q,H8,1,2.447,2.447,2.447,
B3Q,H9,1,2.322,2.322,2.322,
B3Q,HA,1,2.545,2.545,2.545,
B3Q,HAA,1,2.545,2.545,2.545,
B3Q,HB,1,4.242,4.242,4.242,
B3Q,HG,1,1.908,1.908,1.908,
B3Q,HGA,1,1.725,1.725,1.725,
B3Q,HN,1,7.496,7.496,7.496,
B3T,H1D2,1,1.022,1.022,1.022,
B3T,HA,1,2.475,2.475,2.475,
B3T,HAA,1,2.582,2.582,2.582,
B3T,HB,1,4.069,4.069,4.069,
B3T,HG,1,3.881,3.881,3.881,
B3T,HN,1,7.168,7.168,7.168,
BAL,BT,2,2.318,2.341,2.330,0.016
BAL,CA,1,34.968,34.968,34.968,
BAL,CB,1,35.920,35.920,35.920,
BAL,H,4,7.091,7.901,7.375,0.367
BAL,HA,2,3.931,4.157,4.044,0.160
BAL,HA1,2,2.32,2.431,2.376,0.078
BAL,HA2,2,2.292,2.32,2.306,0.020
BAL,HB1,1,1.046,1.046,1.046,
BAL,HB2,4,1.046,3.481,2.224,1.343
BAL,HB3,4,1.046,3.40,2.211,1.326
BAL,N,1,116.672,116.672,116.672,
BAP,H1,2,7.03,7.37,7.200,0.240
BAP,H10,1,5.50,5.50,5.500,
BAP,H101,1,5.66,5.66,5.660,
BAP,H102,1,5.66,5.66,5.660,
BAP,H11,2,6.30,6.48,6.390,0.127
BAP,H12,2,6.91,6.98,6.945,0.049
BAP,H2,2,7.00,7.43,7.215,0.304
BAP,H3,2,7.35,7.44,7.395,0.064
BAP,H4,2,7.53,7.57,7.550,0.028
BAP,H5,2,7.59,7.82,7.705,0.163
BAP,H6,2,7.68,8.19,7.935,0.361
BAP,H7,1,5.24,5.24,5.240,
BAP,H71,1,3.24,3.24,3.240,
BAP,H72,1,3.08,3.08,3.080,
BAP,H8,1,3.98,3.98,3.980,
BAP,H81,1,1.92,1.92,1.920,
BAP,H82,1,2.04,2.04,2.040,
BAP,H9,2,4.18,4.83,4.505,0.460
BB9,C,17,64.9,165.0,141.006,42.628
BB9,CA,17,149.0,160.3,153.588,4.055
BB9,CB,17,120.4,130.4,126.547,3.483
BB9,HB,24,6.907,8.743,8.059,0.414
BB9,HC,4,4.60,5.35,5.140,0.361
BCX,H,1,7.90,7.90,7.900,
BCX,HA,1,4.32,4.32,4.320,
BCX,HB2,1,2.78,2.78,2.780,
BCX,HB3,1,2.99,2.99,2.990,
BCX,HG,1,2.45,2.45,2.450,
BE2,H3,2,7.849,7.862,7.856,0.009
BE2,H4,1,7.509,7.509,7.509,
BE2,H5,1,7.222,7.222,7.222,
BE2,H6,2,7.421,7.438,7.430,0.012
BE2,HN21,2,10.526,10.578,10.552,0.037
BEF,F1,2,-150.21,-150.2,-150.205,0.007
BEF,F2,2,-151.56,-150.6,-151.080,0.679
BEF,F3,1,-178.70,-178.70,-178.700,
BEZ,H2,2,6.805,6.805,6.805,0.000
BEZ,H3,2,7.032,7.032,7.032,0.000
BEZ,H4,2,7.620,7.620,7.620,0.000
BEZ,H5,2,7.708,7.708,7.708,0.000
BEZ,H6,2,7.511,7.511,7.511,0.000
BFC,H,1,8.14,8.14,8.140,
BFC,HA1,1,2.32,2.32,2.320,
BFC,HA2,1,2.81,2.81,2.810,
BFC,HB,1,5.05,5.05,5.050,
BFC,HG1,1,1.62,1.62,1.620,
BFC,HG2,1,1.85,1.85,1.850,
BGC,C1,3,98.600,107.680,103.693,4.640
BGC,C2,3,75.765,78.253,76.719,1.341
BGC,C3,3,78.2000,79.797,78.845,0.842
BGC,C4,3,72.6300,75.305,73.534,1.534
BGC,C5,3,78.273,78.592,78.468,0.171
BGC,C6,3,62.547,63.7700,63.258,0.635
BGC,H1,3,4.466,4.615,4.535,0.075
BGC,H2,3,3.246,3.469,3.342,0.115
BGC,H3,3,3.416,3.695,3.562,0.140
BGC,H4,3,3.312,3.866,3.538,0.291
BGC,H5,3,3.351,3.5110,3.441,0.082
BGC,H61,1,3.839,3.839,3.839,
BGC,H62,1,3.635,3.635,3.635,
BGC,H6C1,2,3.7550,3.980,3.868,0.159
BGC,H6C2,2,3.785,3.9960,3.891,0.149
BGM,H1,11,10.977,11.888,11.364,0.247
BGM,H1',11,5.916,6.196,6.081,0.104
BGM,H2',11,2.733,3.970,3.396,0.354
BGM,H2'',11,2.211,3.174,2.883,0.284
BGM,H21,2,6.618,8.844,7.731,1.574
BGM,H22,2,6.506,9.172,7.839,1.885
BGM,H3',9,4.675,5.130,4.993,0.146
BGM,H4',3,4.461,5.046,4.851,0.337
BGR,BP,1,-41.43,-41.43,-41.430,
BGR,C1',1,85.8,85.8,85.800,
BGR,C8,1,137.3,137.3,137.300,
BGR,H1,1,12.458,12.458,12.458,
BGR,H1',1,5.984,5.984,5.984,
BGR,H1BP,1,0.33,0.33,0.330,
BGR,H2',1,2.634,2.634,2.634,
BGR,H2'',1,2.634,2.634,2.634,
BGR,H2BP,1,0.33,0.33,0.330,
BGR,H3',1,4.720,4.720,4.720,
BGR,H3BP,1,0.33,0.33,0.330,
BGR,H4',1,4.349,4.349,4.349,
BGR,H8,1,7.677,7.677,7.677,
BGR,P,1,94.00,94.00,94.000,
BHD,H,2,8.82,9.22,9.020,0.283
BHD,HA,2,5.06,5.16,5.110,0.071
BHD,HB,1,4.42,4.42,4.420,
BHD,HB2,1,4.78,4.78,4.780,
BLEU,BT,2,2.239,2.526,2.383,0.203
BLEU,H,2,6.914,7.22,7.067,0.216
BLEU,HA,2,3.987,4.388,4.188,0.284
BLEU,HB2,2,1.256,1.334,1.295,0.055
BLEU,HB3,2,1.256,1.334,1.295,0.055
BLEU,HD11,2,0.871,0.931,0.901,0.042
BLEU,HD12,2,0.871,0.931,0.901,0.042
BLEU,HD13,2,0.871,0.931,0.901,0.042
BLEU,HD21,2,0.871,0.931,0.901,0.042
BLEU,HD22,2,0.871,0.931,0.901,0.042
BLEU,HD23,2,0.871,0.931,0.901,0.042
BLEU,HG,2,1.551,1.56,1.556,0.006
BLM,1H50,1,3.59,3.59,3.590,
BLM,1H51,1,2.15,2.15,2.150,
BLM,1H52,1,3.42,3.42,3.420,
BLM,1H55,1,2.86,2.86,2.860,
BLM,1H61,1,3.49,3.49,3.490,
BLM,1H66,1,3.86,3.86,3.860,
BLM,1HNQ,1,6.39,6.39,6.390,
BLM,2H50,1,3.59,3.59,3.590,
BLM,2H51,1,2.15,2.15,2.150,
BLM,2H52,1,3.42,3.42,3.420,
BLM,2H55,1,2.86,2.86,2.860,
BLM,2H61,1,3.39,3.39,3.390,
BLM,2H66,1,3.70,3.70,3.700,
BLM,2HNQ,1,6.09,6.09,6.090,
BLM,3H55,1,2.86,2.86,2.860,
BLM,H13,1,4.95,4.95,4.950,
BLM,H14,1,5.22,5.22,5.220,
BLM,H1E,1,3.54,3.54,3.540,
BLM,H1X,1,3.54,3.54,3.540,
BLM,H2,1,3.98,3.98,3.980,
BLM,H28,1,7.25,7.25,7.250,
BLM,H29,1,7.85,7.85,7.850,
BLM,H2E,1,3.17,3.17,3.170,
BLM,H2X,1,3.17,3.17,3.170,
BLM,H31,1,3.77,3.77,3.770,
BLM,H33,1,3.68,3.68,3.680,
BLM,H34,1,2.37,2.37,2.370,
BLM,H37,1,4.13,4.13,4.130,
BLM,H38,1,4.00,4.00,4.000,
BLM,H3E,1,3.09,3.09,3.090,
BLM,H3X,1,2.51,2.51,2.510,
BLM,H44,1,8.11,8.11,8.110,
BLM,H47,1,7.88,7.88,7.880,
BLM,H57,1,3.96,3.96,3.960,
BLM,H58,1,4.05,4.05,4.050,
BLM,H59,1,3.76,3.76,3.760,
BLM,H5E,1,2.77,2.77,2.770,
BLM,H5X,1,2.61,2.61,2.610,
BLM,H6,1,4.08,4.08,4.080,
BLM,H60,1,3.99,3.99,3.990,
BLM,H63,1,5.20,5.20,5.200,
BLM,H64,1,4.96,4.96,4.960,
BLM,H65,1,3.69,3.69,3.690,
BLM,H67,1,3.68,3.68,3.680,
BLM,H68,1,4.51,4.51,4.510,
BLM,H69,1,3.87,3.87,3.870,
BLM,HA1,1,7.18,7.18,7.180,
BLM,HA2,1,7.91,7.91,7.910,
BLM,HAA,1,1.97,1.97,1.970,
BLM,HAB,1,1.97,1.97,1.970,
BLM,HAC,1,1.97,1.97,1.970,
BLM,HB1,1,6.81,6.81,6.810,
BLM,HB2,1,6.38,6.38,6.380,
BLM,HBA,1,1.04,1.04,1.040,
BLM,HBB,1,1.04,1.04,1.040,
BLM,HBC,1,1.04,1.04,1.040,
BLM,HCA,1,1.04,1.04,1.040,
BLM,HCB,1,1.04,1.04,1.040,
BLM,HCC,1,1.04,1.04,1.040,
BLM,HD1,1,7.00,7.00,7.000,
BLM,HD2,1,7.79,7.79,7.790,
BLM,HDA,1,1.03,1.03,1.030,
BLM,HDB,1,1.03,1.03,1.030,
BLM,HDC,1,1.03,1.03,1.030,
BLM,HF1,1,6.77,6.77,6.770,
BLM,HF2,1,6.77,6.77,6.770,
BLM,HNH,1,9.41,9.41,9.410,
BLM,HNK,1,8.23,8.23,8.230,
BLM,HNL,1,8.06,8.06,8.060,
BLM,HNM,1,8.35,8.35,8.350,
BMT,C,4,169.8,171.1,170.600,0.560
BMT,CA,4,58.8,59.1,58.998,0.139
BMT,CB,4,73.91,75.0,74.453,0.490
BMT,CD1,4,15.59,17.0,16.573,0.670
BMT,CD2,4,34.8,35.8,35.440,0.450
BMT,CE,4,129.60,129.9,129.675,0.150
BMT,CG1,1,36.0,36.0,36.000,
BMT,CG2,3,35.2,36.0,35.667,0.416
BMT,CH,4,17.63,18.0,17.858,0.159
BMT,CN,4,33.5,34.3,33.960,0.379
BMT,CZ,4,125.65,126.5,126.213,0.384
BMT,HA,4,5.243,5.556,5.391,0.135
BMT,HB,4,3.778,3.965,3.861,0.089
BMT,HD11,4,0.696,0.820,0.745,0.055
BMT,HD12,4,0.696,0.820,0.745,0.055
BMT,HD13,4,0.696,0.820,0.745,0.055
BMT,HD22,4,2.226,2.42,2.339,0.094
BMT,HD23,4,1.638,1.904,1.739,0.120
BMT,HE,4,5.276,5.35,5.329,0.036
BMT,HG1,3,1.533,3.85,2.334,1.313
BMT,HG2,3,1.60,1.693,1.649,0.047
BMT,HH1,4,1.493,1.63,1.590,0.065
BMT,HH2,4,1.493,1.63,1.590,0.065
BMT,HH3,4,1.493,1.63,1.590,0.065
BMT,HN1,4,3.419,3.529,3.485,0.048
BMT,HN2,4,3.419,3.529,3.485,0.048
BMT,HN3,4,3.419,3.529,3.485,0.048
BMT,HZ,4,5.243,5.350,5.321,0.052
BO6,H1,2,9.897,9.897,9.897,0.000
BO6,H10,2,7.947,7.947,7.947,0.000
BO6,H12,2,7.124,7.124,7.124,0.000
BO6,H13,2,6.975,6.975,6.975,0.000
BO6,H17,2,7.44,7.44,7.440,0.000
BO6,H18,2,7.868,7.868,7.868,0.000
BO6,H2,2,7.136,7.136,7.136,0.000
BO6,H20,2,7.868,7.868,7.868,0.000
BO6,H21,2,7.44,7.44,7.440,0.000
BO6,H22,2,6.707,6.707,6.707,0.000
BO6,H23,2,7.389,7.389,7.389,0.000
BO6,H25,2,7.561,7.561,7.561,0.000
BO6,H26,2,8.124,8.124,8.124,0.000
BO6,H28,2,8.124,8.124,8.124,0.000
BO6,H29,2,7.561,7.561,7.561,0.000
BO6,H3,2,6.491,6.491,6.491,0.000
BO6,H30,2,3.948,3.948,3.948,0.000
BO6,H31,2,3.825,3.825,3.825,0.000
BO6,H6,2,7.818,7.818,7.818,0.000
BO6,H8,2,6.967,6.967,6.967,0.000
BO6,H9,2,6.783,6.783,6.783,0.000
BO6,H9L,2,3.948,3.948,3.948,0.000
BO6,H9M,2,3.948,3.948,3.948,0.000
BO6,H9N,2,3.825,3.825,3.825,0.000
BO6,H9O,2,3.825,3.825,3.825,0.000
BSE,H,1,7.99,7.99,7.990,
BSE,HA,1,4.05,4.05,4.050,
BSE,HB2,1,3.34,3.34,3.340,
BSE,HB3,1,3.42,3.42,3.420,
BSE,HD,1,4.83,4.83,4.830,
BSE,HG2,1,2.46,2.46,2.460,
BSE,HG3,1,2.39,2.39,2.390,
BTI,H102,1,2.250,2.250,2.250,
BTI,H103,1,2.122,2.122,2.122,
BTI,H2,1,2.556,2.556,2.556,
BTI,H4,1,2.572,2.572,2.572,
BTI,H5,1,2.814,2.814,2.814,
BTI,H62,1,2.002,2.002,2.002,
BTI,H63,1,2.321,2.321,2.321,
BTI,H72,1,1.172,1.172,1.172,
BTI,H73,1,1.460,1.460,1.460,
BTI,H82,1,1.013,1.013,1.013,
BTI,H83,1,1.166,1.166,1.166,
BTI,H92,1,1.555,1.555,1.555,
BTI,H93,1,1.159,1.159,1.159,
BTI,HN2,1,6.093,6.093,6.093,
BTI,HN3,1,6.717,6.717,6.717,
BTRP,BT,1,2.896,2.896,2.896,
BTRP,H,1,7.047,7.047,7.047,
BTRP,HA,1,4.194,4.194,4.194,
BTRP,HB2,1,2.263,2.263,2.263,
BTRP,HB3,1,2.263,2.263,2.263,
BTRP,HD1,1,7.074,7.074,7.074,
BTRP,HE1,1,10.915,10.915,10.915,
BTRP,HZ2,1,7.359,7.359,7.359,
BVV,H1,1,8.206,8.206,8.206,
BVV,H10,1,5.859,5.859,5.859,
BVV,H11,1,7.278,7.278,7.278,
BVV,H12,1,8.273,8.273,8.273,
BVV,H15,1,8.411,8.411,8.411,
BVV,H17,1,8.203,8.203,8.203,
BVV,H2,1,7.956,7.956,7.956,
BVV,H9,1,5.859,5.859,5.859,
C1305,H10,1,7.820,7.820,7.820,
C1305,H15,1,3.472,3.472,3.472,
C1305,H16,1,2.114,2.114,2.114,
C1305,H17,1,3.294,3.294,3.294,
C1305,H18,1,2.987,2.987,2.987,
C1305,H3,1,6.968,6.968,6.968,
C1305,H4,1,6.171,6.171,6.171,
C1305,H7,1,6.396,6.396,6.396,
C1305,H9,1,7.048,7.048,7.048,
C2E,C1',4,90.973,93.650,91.947,1.204
C2E,C1A,2,92.549,93.777,93.163,0.868
C2E,C2',4,76.051,77.783,76.952,0.722
C2E,C2A,2,75.781,76.519,76.150,0.522
C2E,C3',4,71.068,74.046,72.764,1.507
C2E,C3A,2,72.251,72.290,72.271,0.028
C2E,C4',4,81.540,84.078,83.199,1.166
C2E,C4A,2,82.701,82.927,82.814,0.160
C2E,C5',3,64.099,66.096,65.298,1.057
C2E,C5A,2,64.633,64.706,64.670,0.052
C2E,C8,2,137.152,137.759,137.456,0.429
C2E,H1',6,3.289,6.211,5.433,1.109
C2E,H1A,4,4.880,5.659,5.367,0.344
C2E,H2',6,3.953,4.900,4.569,0.367
C2E,H2A,4,4.473,5.918,4.945,0.665
C2E,H3',5,4.437,5.199,4.866,0.327
C2E,H3A,4,4.590,4.948,4.735,0.167
C2E,H4',6,4.087,4.497,4.373,0.160
C2E,H4A,4,4.325,4.375,4.355,0.021
C2E,H5'1,4,3.994,4.314,4.136,0.132
C2E,H511,4,3.934,4.381,4.121,0.187
C2E,H512,3,4.120,4.672,4.405,0.276
C2E,H5'2,3,3.853,4.667,4.336,0.428
C2E,H8,6,7.221,7.658,7.508,0.178
C2E,H81,4,7.368,7.579,7.479,0.091
C2E,HN1,4,11.148,11.970,11.688,0.369
C2E,HN11,4,10.767,13.445,12.265,1.282
C2E,HN21,3,5.537,6.263,5.884,0.364
C2E,HN23,2,5.698,6.000,5.849,0.214
C2E,N1,2,147.081,147.805,147.443,0.512
C2E,N11,1,145.614,145.614,145.614,
C2E,N2,1,69.534,69.534,69.534,
C2E,N21,1,69.824,69.824,69.824,
C2E,N7,2,232.095,234.760,233.428,1.884
C2E,N71,2,228.344,235.292,231.818,4.913
C2E,N9,2,150.704,150.813,150.759,0.077
C5L,H1',8,5.661,5.767,5.706,0.041
C5L,H2',8,4.180,4.477,4.342,0.131
C5L,H3',6,4.569,4.634,4.595,0.031
C5L,H41,8,8.403,8.815,8.660,0.174
C5L,H42,8,6.255,6.665,6.405,0.177
C5L,H6,8,7.553,7.994,7.739,0.184
C5L,H7*,8,1.317,1.917,1.557,0.250
C5L,HCA*,6,4.085,4.110,4.101,0.012
C5L,HCD*,6,3.433,3.503,3.470,0.031
C90,C18,1,58.630,58.630,58.630,
C90,C19,1,69.970,69.970,69.970,
C90,C21,1,20.580,20.580,20.580,
C90,CA1,1,68.760,68.760,68.760,
C90,CA2,1,68.760,68.760,68.760,
C90,CB1,1,55.180,55.180,55.180,
C90,CB2,1,55.180,55.180,55.180,
C90,H17,1,7.833,7.833,7.833,
C90,H18,1,5.225,5.225,5.225,
C90,H19,1,4.101,4.101,4.101,
C90,H211,1,0.995,0.995,0.995,
C90,H212,1,0.995,0.995,0.995,
C90,H213,1,0.995,0.995,0.995,
C90,H51,1,3.771,3.771,3.771,
C90,H52,1,3.285,3.285,3.285,
C90,HA11,1,3.509,3.509,3.509,
C90,HA12,1,3.509,3.509,3.509,
C90,HA21,1,3.509,3.509,3.509,
C90,HA22,1,3.509,3.509,3.509,
C90,HB11,1,2.330,2.330,2.330,
C90,HB12,1,2.330,2.330,2.330,
C90,HB21,1,2.330,2.330,2.330,
C90,HB22,1,2.330,2.330,2.330,
C90,HC1,1,6.952,6.952,6.952,
C90,HC2,1,6.952,6.952,6.952,
C90,HD1,1,7.202,7.202,7.202,
C90,HD2,1,7.202,7.202,7.202,
C90,HE1,1,7.430,7.430,7.430,
C90,HE2,1,7.430,7.430,7.430,
C90,HF,1,8.055,8.055,8.055,
C90,HF1,1,8.055,8.055,8.055,
C90,N17,1,111.655,111.655,111.655,
CA1,H1,1,1.320,1.320,1.320,
CA1,H2,1,3.950,3.950,3.950,
CA1,H3,1,4.220,4.220,4.220,
CA1,H4,1,3.620,3.620,3.620,
CA1,H5,1,4.920,4.920,4.920,
CA1,H6,1,1.220,1.220,1.220,
CD,Cd,9,33.517,648.6,244.302,300.831
CD,CD,10,605,691,644.840,26.661
CEL,H,1,8.008,8.008,8.008,
CEL,HA,1,4.114,4.114,4.114,
CEL,HB2,1,1.618,1.618,1.618,
CEL,HD2,1,1.531,1.531,1.531,
CEL,HD3,1,1.531,1.531,1.531,
CEL,HE1,1,3.977,3.977,3.977,
CEL,HE2,1,2.856,2.856,2.856,
CEL,HE3,1,2.856,2.856,2.856,
CEL,HG2,1,1.217,1.217,1.217,
CEL,HG3,1,1.217,1.217,1.217,
CEL,HZ11,1,1.732,1.732,1.732,
CEL,HZ12,1,1.732,1.732,1.732,
CEL,HZ13,1,1.732,1.732,1.732,
CFL,F,3,-120.488,-117.822,-118.920,1.394
CFL,H1',8,5.802,6.348,6.027,0.208
CFL,H2',8,5.157,5.481,5.354,0.105
CFL,H3',4,4.583,4.766,4.717,0.089
CFL,H4',4,4.154,4.412,4.281,0.129
CFL,H41,2,8.515,8.612,8.564,0.069
CFL,H42,2,9.262,9.367,9.315,0.074
CFL,H5,8,5.124,5.961,5.590,0.348
CFL,H5'1,3,3.844,4.210,4.065,0.194
CFL,H5'2,3,3.926,4.252,4.108,0.166
CFL,H6,8,7.027,7.707,7.365,0.267
CFL,HN41,6,6.789,8.663,7.958,0.900
CFL,HN42,5,6.640,8.488,7.429,0.890
CFZ,H1',2,5.749,5.785,5.767,0.025
CFZ,H2',2,5.358,5.386,5.372,0.020
CFZ,H3',2,4.584,4.622,4.603,0.027
CFZ,H4',2,4.354,4.522,4.438,0.119
CFZ,H5,2,5.365,5.958,5.662,0.419
CFZ,H5',2,4.062,4.192,4.127,0.092
CFZ,H5'A,1,3.932,3.932,3.932,
CFZ,H6,2,7.484,8.009,7.747,0.371
CFZ,HN4,1,6.946,6.946,6.946,
CFZ,HN4A,1,8.529,8.529,8.529,
CGU,C,19,171.36,181.98,179.046,2.278
CGU,CA,33,57.222,60.017,58.075,0.768
CGU,CB,33,29.710,34.336,31.724,1.299
CGU,CG,33,53.170,60.027,55.286,2.469
CGU,H,31,7.8770,9.1900,8.409,0.445
CGU,HA,34,3.9640,4.6470,4.248,0.233
CGU,HB2,33,1.8890,2.568,2.295,0.155
CGU,HB3,34,1.8870,2.5010,2.163,0.169
CGU,HG,34,3.215,3.8100,3.563,0.198
CGU,N,30,117.16,121.34,119.855,1.073
CH,C1',2,90.20,95.142,92.671,3.495
CH,C2,1,150.849,150.849,150.849,
CH,C2',1,76.081,76.081,76.081,
CH,C3',1,74.505,74.505,74.505,
CH,C4,1,160.425,160.425,160.425,
CH,C4',1,82.191,82.191,82.191,
CH,C5,2,98.20,98.668,98.434,0.331
CH,C5',1,68.14,68.14,68.140,
CH,C6,1,143.499,143.499,143.499,
CH,H1',8,5.264,6.53,6.226,0.421
CH,H2',8,2.13,4.288,2.737,0.867
CH,H2'',6,1.52,2.66,2.407,0.439
CH,H3',8,3.757,5.14,4.721,0.407
CH,H4',7,4.02,4.388,4.180,0.119
CH,H41,8,8.43,11.15,9.354,0.806
CH,H42,8,7.92,11.655,8.871,1.274
CH,H5,8,5.53,6.36,5.971,0.226
CH,H5',7,4.02,4.37,4.244,0.148
CH,H5'',7,3.89,4.26,4.109,0.121
CH,H6,8,7.298,8.42,7.852,0.336
CH,HN3,7,12.56,15.76,15.169,1.156
CH,HO3',1,12.216,12.216,12.216,
CH,N1,1,148.119,148.119,148.119,
CH,N3,2,138.365,142.70,140.533,3.065
CH,N4,2,111.011,115.80,113.406,3.386
CH,P,6,-4.608,-3.56,-3.985,0.411
CHA,H1',1,0.944,0.944,0.944,
CHA,H11,1,4.023,4.023,4.023,
CHA,H2,1,8.185,8.185,8.185,
CHA,H2'1,1,0.621,0.621,0.621,
CHA,H2'2,1,1.475,1.475,1.475,
CHA,H31,1,1.280,1.280,1.280,
CHA,H3'1,1,0.696,0.696,0.696,
CHA,H32,1,1.163,1.163,1.163,
CHA,H3'2,1,1.435,1.435,1.435,
CHA,H4'1,1,0.866,0.866,0.866,
CHA,H4'2,1,1.440,1.440,1.440,
CHA,H5'1,1,0.924,0.924,0.924,
CHA,H5'2,1,1.495,1.495,1.495,
CHA,H6'1,1,1.020,1.020,1.020,
CHA,H6'2,1,1.475,1.475,1.475,
chem_comp_1,H1',1,5.90,5.90,5.900,
chem_comp_1,H2',1,1.99,1.99,1.990,
chem_comp_1,H2'',1,2.45,2.45,2.450,
chem_comp_1,H3,1,13.90,13.90,13.900,
chem_comp_1,H3',1,4.87,4.87,4.870,
chem_comp_1,H4',1,4.16,4.16,4.160,
chem_comp_1,H5',1,4.06,4.06,4.060,
chem_comp_1,H6,1,6.88,6.88,6.880,
CHR,1H18,1,1.26,1.26,1.260,
CHR,1H19,1,2.70,2.70,2.700,
CHR,1H31,1,2.96,2.96,2.960,
CHR,1H32,1,2.34,2.34,2.340,
CHR,1H35,1,4.70,4.70,4.700,
CHR,2H35,1,4.99,4.99,4.990,
CHR,C,2,179.30,179.30,179.300,0.000
CHR,C10,1,79.79,79.79,79.790,
CHR,C11,3,57.40,59.40,58.067,1.155
CHR,C12,3,23.10,24.70,23.633,0.924
CHR,C13,4,36.20,80.51,47.668,21.907
CHR,C14,1,59.60,59.60,59.600,
CHR,C16,1,79.78,79.78,79.780,
CHR,C19,1,33.76,33.76,33.760,
CHR,C31,1,29.06,29.06,29.060,
CHR,C32,1,21.77,21.77,21.770,
CHR,CA,2,31.40,31.40,31.400,0.000
CHR,CB,2,30.30,30.30,30.300,0.000
CHR,H,3,8.70,9.72,9.380,0.589
CHR,H10,1,4.36,4.36,4.360,
CHR,H11,6,5.49,5.99,5.747,0.183
CHR,H12,1,7.07,7.07,7.070,
CHR,H121,3,2.44,2.63,2.567,0.110
CHR,H122,3,2.43,2.67,2.510,0.139
CHR,H13,1,5.98,5.98,5.980,
CHR,H131,3,3.37,3.68,3.577,0.179
CHR,H132,3,3.44,3.68,3.520,0.139
CHR,H14,1,3.58,3.58,3.580,
CHR,H15,1,3.42,3.42,3.420,
CHR,H16,1,3.65,3.65,3.650,
CHR,H17,1,4.06,4.06,4.060,
CHR,H23,1,7.40,7.40,7.400,
CHR,H24,1,8.15,8.15,8.150,
CHR,H27,1,7.51,7.51,7.510,
CHR,H29,1,6.83,6.83,6.830,
CHR,H33,1,5.40,5.40,5.400,
CHR,H4,4,6.70,7.78,7.213,0.593
CHR,H5,3,3.80,7.72,6.413,2.263
CHR,H8,5,5.84,6.99,6.610,0.482
CHR,HA,2,2.81,2.81,2.810,0.000
CHR,HB,2,2.81,2.81,2.810,0.000
CHR,HN21,2,2.59,2.61,2.600,0.014
CHR,HN22,2,2.20,2.26,2.230,0.042
CHR,HN31,2,3.51,3.55,3.530,0.028
CHR,HN32,2,3.16,3.27,3.215,0.078
CHR,HO5,2,6.73,7.05,6.890,0.226
CHR,HO6,2,8.03,8.52,8.275,0.346
CHR,N,3,92.43,117.95,109.443,14.734
CLG,H,1,7.76,7.76,7.760,
CLG,HA,1,4.68,4.68,4.680,
CLG,HB2,1,2.07,2.07,2.070,
CLG,HB3,1,1.95,1.95,1.950,
CLG,HD2,1,1.67,1.67,1.670,
CLG,HD3,1,1.67,1.67,1.670,
CLG,HE2,1,2.30,2.30,2.300,
CLG,HE3,1,2.21,2.21,2.210,
CLG,HG2,1,1.47,1.47,1.470,
CLG,HG3,1,1.47,1.47,1.470,
CLH,H,1,6.78,6.78,6.780,
CLH,HA,1,4.32,4.32,4.320,
CLH,HE2,1,1.56,1.56,1.560,
CLH,HE3,1,1.56,1.56,1.560,
CM0,H1',1,5.433,5.433,5.433,
CM0,H2',1,4.645,4.645,4.645,
CM0,H3',1,4.662,4.662,4.662,
CM0,H4',1,4.226,4.226,4.226,
CM0,H5',1,4.185,4.185,4.185,
CM0,H5'',1,4.035,4.035,4.035,
CM0,H6,1,7.318,7.318,7.318,
CM0,H7,1,4.235,4.235,4.235,
CM0,H8,1,4.235,4.235,4.235,
CM5,H1,1,7.623,7.623,7.623,
CM5,H7,1,5.618,5.618,5.618,
CM5,H8,1,5.529,5.529,5.529,
CM5,H9,1,4.610,4.610,4.610,
CM5,HD1,1,6.933,6.933,6.933,
CM5,HD3,1,7.166,7.166,7.166,
CM5,HD4,1,7.199,7.199,7.199,
CM5,HD5,1,7.526,7.526,7.526,
CM5,HE1,1,6.979,6.979,6.979,
CM5,HE5,1,6.573,6.573,6.573,
CM5,HE6,1,6.543,6.543,6.543,
CM5,HH2,1,2.859,2.859,2.859,
CM5,HH3,1,3.070,3.070,3.070,
CM5,HH4,1,3.572,3.572,3.572,
CM5,HHM,1,1.189,1.189,1.189,
CM5,HM1,1,3.717,3.717,3.717,
CM5,HZ2,1,7.208,7.208,7.208,
CM7,H1,1,7.77,7.77,7.770,
CM7,H7,1,5.739,5.739,5.739,
CM7,H8,1,5.644,5.644,5.644,
CM7,H9,1,4.789,4.789,4.789,
CM7,HD1,1,6.961,6.961,6.961,
CM7,HD4,1,7.192,7.192,7.192,
CM7,HD5,1,6.718,6.718,6.718,
CM7,HE1,1,7.169,7.169,7.169,
CM7,HE5,1,6.938,6.938,6.938,
CM7,HE6,1,7.377,7.377,7.377,
CM7,HH2,1,2.858,2.858,2.858,
CM7,HH3,1,3.07,3.07,3.070,
CM7,HH4,1,3.576,3.576,3.576,
CM7,HHM,1,1.172,1.172,1.172,
CM7,HZ2,1,7.745,7.745,7.745,
CMF,HD,1,7.206,7.206,7.206,
CMF,HE,1,7.165,7.165,7.165,
CMO,H1',1,5.396,5.396,5.396,
CMO,H2',1,4.643,4.643,4.643,
CMO,H3',1,4.675,4.675,4.675,
CMO,H4',1,4.286,4.286,4.286,
CMO,H5',1,4.197,4.197,4.197,
CMO,H5'',1,4.398,4.398,4.398,
CMO,H6,1,7.316,7.316,7.316,
CMO,H7,1,4.292,4.292,4.292,
CMR,H1',2,5.38,5.71,5.545,0.233
CMR,H2',2,2.13,2.16,2.145,0.021
CMR,H2'',2,1.74,2.03,1.885,0.205
CMR,H3',2,4.98,5.06,5.020,0.057
CMR,H4',2,4.19,4.29,4.240,0.071
CMR,H5,2,5.19,5.76,5.475,0.403
CMR,H6,2,7.09,7.48,7.285,0.276
CMR,P,2,35.48,35.74,35.610,0.184
CRO,CA,1,63.60,63.60,63.600,
CRO,CB,3,43.70,133.20,82.233,46.027
CRO,CD1,1,131.60,131.60,131.600,
CRO,CD2,1,131.60,131.60,131.600,
CRO,CE1,1,131.70,131.70,131.700,
CRO,CE2,1,131.70,131.70,131.700,
CRO,CG2,1,21.70,21.70,21.700,
CRO,H,1,8.58,8.58,8.580,
CRO,HA,1,3.86,3.86,3.860,
CRO,HB,1,3.96,3.96,3.960,
CRO,HB2,2,4.43,7.07,5.750,1.867
CRO,HB3,2,4.43,7.07,5.750,1.867
CRO,HD1,1,7.24,7.24,7.240,
CRO,HD2,1,7.24,7.24,7.240,
CRO,HE1,1,7.14,7.14,7.140,
CRO,HE2,1,7.14,7.14,7.140,
CRO,HG21,1,1.06,1.06,1.060,
CRO,HG22,1,1.06,1.06,1.060,
CRO,HG23,1,1.06,1.06,1.060,
CRO,N,1,109.20,109.20,109.200,
CSD,C,1,174.412,174.412,174.412,
CSD,CA,1,55.235,55.235,55.235,
CSD,CB,1,64.778,64.778,64.778,
CSD,H,1,8.513,8.513,8.513,
CSD,N,1,124.539,124.539,124.539,
CSP,C,1,172.988,172.988,172.988,
CSP,CA,1,57.023,57.023,57.023,
CSP,CB,1,33.282,33.282,33.282,
CSP,H,1,7.897,7.897,7.897,
CSP,HA,1,4.709,4.709,4.709,
CSP,HB2,1,3.557,3.557,3.557,
CSP,HB3,1,3.283,3.283,3.283,
CSP,N,1,115.838,115.838,115.838,
CST-2,CA,1,53.065,53.065,53.065,
CST-2,CB,1,32.038,32.038,32.038,
CST-2,CD,1,27.406,27.406,27.406,
CST-2,CE,1,30.675,30.675,30.675,
CST-2,CI1,1,21.508,21.508,21.508,
CST-2,CZ,1,52.890,52.890,52.890,
CST-2,H,1,8.437,8.437,8.437,
CST-2,HA,1,4.470,4.470,4.470,
CST-2,HB2,1,3.005,3.005,3.005,
CST-2,HB3,1,2.944,2.944,2.944,
CST-2,HD1,1,2.626,2.626,2.626,
CST-2,HE1,1,2.025,2.025,2.025,
CST-2,HE2,1,1.959,1.959,1.959,
CST-2,HH11,1,8.419,8.419,8.419,
CST-2,HH21,1,7.763,7.763,7.763,
CST-2,HH22,1,7.279,7.279,7.279,
CST-2,HI1,1,2.007,2.007,2.007,
CST-2,HI2,1,2.007,2.007,2.007,
CST-2,HI3,1,2.007,2.007,2.007,
CST-2,HZ,1,4.429,4.429,4.429,
CST-2,N,1,120.536,120.536,120.536,
CST-2,NH1,1,126.674,126.674,126.674,
CST-2,NH2,1,109.438,109.438,109.438,
CTG,H1',2,5.462,5.630,5.546,0.119
CTG,H2',2,2.061,2.065,2.063,0.003
CTG,H2'',2,2.061,2.281,2.171,0.156
CTG,H3',2,4.530,4.574,4.552,0.031
CTG,H4',2,4.015,4.042,4.029,0.019
CTG,H5',2,3.785,4.097,3.941,0.221
CTG,H5'',1,3.967,3.967,3.967,
CTG,H6,2,4.577,4.698,4.638,0.086
CTG,H6x,1,4.910,4.910,4.910,
CTG,H71,1,0.912,0.912,0.912,
CTG,H72,1,0.912,0.912,0.912,
CTG,H73,1,0.912,0.912,0.912,
CTG,M7,1,0.488,0.488,0.488,
CTG,M7x,1,1.240,1.240,1.240,
CTG,P,1,1.765,1.765,1.765,
CTT,H15,2,4.193,4.279,4.236,0.061
CTT,H16,2,1.918,2.095,2.007,0.125
CTT,H17,2,1.644,1.954,1.799,0.219
CTT,H19,2,8.348,8.655,8.502,0.217
CTT,H20,2,2.397,2.820,2.609,0.299
CTT,H21,2,2.298,2.620,2.459,0.228
CY1,H,1,8.423,8.423,8.423,
CY1,HA,1,4.498,4.498,4.498,
CY1,HB2,1,3.054,3.054,3.054,
CY1,HB3,1,2.880,2.880,2.880,
CY2,C,3,175.820,177.266,176.420,0.754
CY2,CA,3,57.545,63.602,59.983,3.197
CY2,CB,3,30.014,31.243,30.636,0.615
CY2,H,3,6.935,8.456,7.720,0.762
CY2,HA,3,4.055,4.932,4.542,0.446
CY2,HB2,3,3.105,3.448,3.290,0.173
CY2,HB3,3,2.257,3.055,2.749,0.431
CY2,N,3,116.646,132.535,122.259,8.912
CY3,H,3,8.35,8.69,8.483,0.181
CY3,HA,3,4.46,4.64,4.543,0.091
CY3,HB2,3,2.92,3.18,3.010,0.147
CY3,HB3,3,2.6,2.93,2.817,0.188
CYC,C,2,177.356,177.356,177.356,0.000
CYC,C1B,1,148.246,148.246,148.246,
CYC,C2C,2,39.394,43.198,41.296,2.690
CYC,C3C,2,53.898,58.343,56.121,3.143
CYC,C4B,1,173.929,173.929,173.929,
CYC,CA,2,58.566,58.566,58.566,0.000
CYC,CAB,2,19.295,20.102,19.699,0.571
CYC,CAC,2,45.767,46.074,45.921,0.217
CYC,CAD,1,23.928,23.928,23.928,
CYC,CB,2,35.352,35.352,35.352,0.000
CYC,CBA,1,42.738,42.738,42.738,
CYC,CBB,2,14.29,15.949,15.120,1.173
CYC,CBC,2,13.342,27.259,20.301,9.841
CYC,CBD,1,43.89,43.89,43.890,
CYC,CHA,1,116.71,116.71,116.710,
CYC,CHB,2,97.629,100.065,98.847,1.723
CYC,CHD,2,92.293,96.786,94.540,3.177
CYC,CMA,2,10.247,13.197,11.722,2.086
CYC,CMB,2,9.417,14.341,11.879,3.482
CYC,CMC,2,15.461,19.587,17.524,2.918
CYC,CMD,2,11.271,11.704,11.488,0.306
CYC,H,2,9.261,9.261,9.261,0.000
CYC,H2C,2,2.66,2.732,2.696,0.051
CYC,H3C,2,2.831,3.526,3.179,0.491
CYC,HA,4,4.18,11.941,7.817,4.218
CYC,HAB1,2,0.85,1.793,1.322,0.667
CYC,HAB2,2,2.129,2.136,2.133,0.005
CYC,HAC,2,3.2,3.384,3.292,0.130
CYC,HAD1,1,2.164,2.164,2.164,
CYC,HAD2,1,2.822,2.822,2.822,
CYC,HB,2,9.966,11.417,10.692,1.026
CYC,HB2,2,3.397,3.397,3.397,0.000
CYC,HB3,2,2.84,2.84,2.840,0.000
CYC,HBA1,1,2,2,2.000,
CYC,HBA2,1,2.646,2.646,2.646,
CYC,HBB1,2,0.321,0.472,0.397,0.107
CYC,HBB2,2,0.321,0.472,0.397,0.107
CYC,HBB3,2,0.321,0.472,0.397,0.107
CYC,HBC1,2,0.984,1.885,1.435,0.637
CYC,HBC2,2,0.984,1.885,1.435,0.637
CYC,HBC3,2,0.984,1.885,1.435,0.637
CYC,HBD1,1,2.146,2.146,2.146,
CYC,HBD2,1,2.872,2.872,2.872,
CYC,HC,1,11.195,11.195,11.195,
CYC,HD,1,12.716,12.716,12.716,
CYC,HHA,2,6.444,7.235,6.840,0.559
CYC,HHB,2,4.395,6.251,5.323,1.312
CYC,HHD,2,5.563,5.876,5.720,0.221
CYC,HMA1,2,1.281,1.932,1.607,0.460
CYC,HMA2,2,1.281,1.932,1.607,0.460
CYC,HMA3,2,1.281,1.932,1.607,0.460
CYC,HMB1,2,-0.101,1.768,0.834,1.322
CYC,HMB2,2,-0.101,1.768,0.834,1.322
CYC,HMB3,2,-0.101,1.768,0.834,1.322
CYC,HMC1,2,1.248,1.477,1.363,0.162
CYC,HMC2,2,1.248,1.477,1.363,0.162
CYC,HMC3,2,1.248,1.477,1.363,0.162
CYC,HMD1,2,1.72,2.181,1.951,0.326
CYC,HMD2,2,1.72,2.181,1.951,0.326
CYC,HMD3,2,1.72,2.181,1.951,0.326
CYC,N,2,117.937,117.937,117.937,0.000
CYC,NA,2,153.564,158.612,156.088,3.569
CYC,NB,2,131.658,139.037,135.348,5.218
CYC,NC,1,155.948,155.948,155.948,
CYC,ND,1,148.864,148.864,148.864,
D,C1,1,96.80,96.80,96.800,
D,C2,1,68.70,68.70,68.700,
D,C3,1,71.40,71.40,71.400,
D,C4,1,82.10,82.10,82.100,
D,C5,1,73.00,73.00,73.000,
D,C6,1,174.8,174.8,174.800,
D,H1,1,5.460,5.460,5.460,
D,H2,1,4.120,4.120,4.120,
D,H3,1,3.960,3.960,3.960,
D,H4,1,4.570,4.570,4.570,
D,H5,1,4.760,4.760,4.760,
D33,H1',15,5.339,6.349,5.732,0.325
D33,H2,12,6.927,8.960,7.921,0.876
D33,H2',6,1.922,2.151,2.061,0.109
D33,H2'',6,2.315,2.546,2.457,0.111
D33,H2'1,9,1.963,2.585,2.253,0.222
D33,H2'2,9,2.099,2.741,2.437,0.216
D33,H3',12,4.508,4.815,4.675,0.125
D33,H4,14,5.960,7.667,6.867,0.603
D33,H4',15,3.223,4.433,3.966,0.375
D33,H5,15,6.774,7.751,7.242,0.311
D33,H5',2,4.077,4.077,4.077,0.000
D33,H5'',6,3.959,4.036,4.006,0.037
D33,H5'1,8,2.837,4.107,3.539,0.579
D33,H5'2,9,3.353,4.128,3.733,0.317
D3N,H10,1,6.013,6.013,6.013,
D3N,H12,1,6.477,6.477,6.477,
D3N,H13,1,7.121,7.121,7.121,
D3N,H14,1,7.081,7.081,7.081,
D3N,H15,1,6.936,6.936,6.936,
D3N,H16,1,6.860,6.860,6.860,
D3N,H3,1,3.930,3.930,3.930,
D3N,H4,1,3.739,3.739,3.739,
D3N,H5,1,4.097,4.097,4.097,
D3N,H6,1,4.885,4.885,4.885,
D3N,H8,1,1.654,1.654,1.654,
D3N,H9,1,2.403,2.403,2.403,
D5B,H1,1,8.397,8.397,8.397,
D5B,H10,1,4.321,4.321,4.321,
D5B,H11,1,4.675,4.675,4.675,
D5B,H12,1,8.259,8.259,8.259,
D5B,H2,1,7.669,7.669,7.669,
D5B,H3,1,6.958,6.958,6.958,
D5B,H4,1,7.468,7.468,7.468,
D5B,H5,1,7.447,7.447,7.447,
D5B,H6,1,8.052,8.052,8.052,
D5B,H7,1,7.990,7.990,7.990,
D5B,H8,1,4.072,4.072,4.072,
D5B,H9,1,4.607,4.607,4.607,
D5B,NH1,1,7.733,7.733,7.733,
D5B,NH2,1,8.279,8.279,8.279,
DA2,HA,2,3.740,3.743,3.742,0.002
DA2,HB2,2,1.863,1.867,1.865,0.003
DA2,HB3,2,1.863,1.867,1.865,0.003
DA2,HD2,2,3.152,3.178,3.165,0.018
DA2,HD3,2,3.152,3.178,3.165,0.018
DA2,HG2,2,1.634,1.634,1.634,0.000
DA2,HG3,2,1.634,1.634,1.634,0.000
DA2,HQ11,2,2.425,2.620,2.523,0.138
DA2,HQ12,2,2.425,2.620,2.523,0.138
DA2,HQ13,2,2.425,2.620,2.523,0.138
DA2,HQ21,2,2.425,2.620,2.523,0.138
DA2,HQ22,2,2.425,2.620,2.523,0.138
DA2,HQ23,2,2.425,2.620,2.523,0.138
DAB,CA,4,53.580,54.31,53.885,0.331
DAB,CB,4,31.50,33.700,32.408,1.061
DAB,CG,2,39.10,39.10,39.100,0.000
DAB,H,15,7.7,9.56,8.413,0.449
DAB,H1,1,2.04,2.04,2.040,
DAB,HA,14,4.16,4.794,4.377,0.155
DAB,HB2,14,1.53,2.17,1.960,0.225
DAB,HB3,14,1.81,2.17,1.990,0.107
DAB,HD1,2,7.882,7.97,7.926,0.062
DAB,HD2,3,7.93,8.12,8.007,0.100
DAB,HD3,2,7.97,8.12,8.045,0.106
DAB,HG2,14,2.818,3.534,3.063,0.211
DAB,HG3,14,1.71,3.319,2.984,0.384
DAB,HZ,2,7.81,7.81,7.810,0.000
DAB,N,3,121.04,125,122.599,2.110
DAL,C,14,170.139,179.654,174.395,2.234
DAL,CA,32,45.1,59.278,52.858,3.790
DAL,CB,31,15.851,40.509,24.582,8.342
DAL,H,72,6.96,9.522,8.118,0.538
DAL,HA,72,3.806,5.8,4.383,0.300
DAL,HB,14,1.11,3.219,1.473,0.508
DAL,HB1,42,1.120,3.430,1.895,0.838
DAL,HB2,41,1.120,3.987,2.140,0.868
DAL,HB3,25,1.120,3.078,1.663,0.648
DAL,N,16,113.5,133.617,124.467,5.175
DAP,H3,1,4.41,4.41,4.410,
DAP,H4,1,3.28,3.28,3.280,
DAP,H5,1,3.41,3.41,3.410,
DAP,HN1,1,7.98,7.98,7.980,
DAP,HN2,1,7.84,7.84,7.840,
DAR,CA,4,58.079,59.449,58.838,0.658
DAR,CB,3,29.980,30.759,30.385,0.390
DAR,CD,1,43.355,43.355,43.355,
DAR,CG,4,27.259,27.706,27.442,0.190
DAR,H,8,7.811,8.840,8.192,0.378
DAR,HA,8,4.000,4.643,4.209,0.205
DAR,HB2,7,1.734,1.937,1.860,0.068
DAR,HB3,8,1.766,1.937,1.849,0.060
DAR,HD2,7,3.176,3.246,3.206,0.026
DAR,HD3,7,3.096,3.246,3.194,0.049
DAR,HE,7,7.088,7.831,7.335,0.250
DAR,HG2,8,1.517,1.792,1.673,0.085
DAR,HG3,8,1.503,1.708,1.628,0.065
DAR,N,3,117.996,120.912,119.847,1.609
DAR,NE,1,116.271,116.271,116.271,
DAS,C,1,177.94,177.94,177.940,
DAS,CA,2,54.421,58.11,56.266,2.609
DAS,CB,1,39.39,39.39,39.390,
DAS,H,7,7.316,8.74,8.328,0.472
DAS,HA,7,4.39,4.66,4.525,0.099
DAS,HB2,4,2.64,2.936,2.747,0.133
DAS,HB3,7,2.61,2.936,2.753,0.123
DAS,N,3,117.569,121.892,119.350,2.260
DBB,C,1,172.182,172.182,172.182,
DBB,CA,3,57.408,61.5570,59.558,2.079
DBB,CB,3,43.798,45.6500,44.536,0.982
DBB,CG,3,20.9400,36.724,26.641,8.757
DBB,H,20,6.928,8.576,7.977,0.516
DBB,HA,20,3.766,4.9809,4.495,0.288
DBB,HB,1,3.5055,3.5055,3.506,
DBB,HB2,10,3.015,4.302,3.652,0.344
DBB,HB3,2,3.2700,3.6890,3.480,0.296
DBB,HG1,10,0.9237,4.302,1.549,0.982
DBB,HG2,6,1.2600,4.302,2.114,1.309
DBB,HG21,1,1.3022,1.3022,1.302,
DBB,HG3,4,1.272,4.302,2.553,1.492
DBP,H1,1,7.809,7.809,7.809,
DBP,H10,1,7.940,7.940,7.940,
DBP,H11,1,3.797,3.797,3.797,
DBP,H12,1,5.101,5.101,5.101,
DBP,H13,1,4.164,4.164,4.164,
DBP,H14,1,6.483,6.483,6.483,
DBP,H2,1,6.376,6.376,6.376,
DBP,H3,1,6.767,6.767,6.767,
DBP,H4,1,7.807,7.807,7.807,
DBP,H5,1,8.042,8.042,8.042,
DBP,H6,1,7.306,7.306,7.306,
DBP,H7,1,7.345,7.345,7.345,
DBP,H8,1,7.098,7.098,7.098,
DBP,H9,1,7.256,7.256,7.256,
DBU,C,5,166.9,173.4,171.000,2.707
DBU,CA,6,130.7,133.375,131.629,0.930
DBU,CB,14,124.946,138.2,131.571,3.845
DBU,CG,14,10.993,18.5,14.340,2.899
DBU,H,19,8.885,12.85,9.631,0.846
DBU,H1,5,8.37,9.738,8.794,0.540
DBU,HB,22,5.838,7.013,6.376,0.323
DBU,HB1,5,6.22,6.30,6.262,0.030
DBU,HG,1,1.685,1.685,1.685,
DBU,HG1,16,1.363,1.851,1.678,0.126
DBU,HG2,12,1.363,1.851,1.684,0.126
DBU,HG21,2,1.6070,1.7927,1.700,0.131
DBU,HG3,12,1.363,1.851,1.684,0.126
DBU,N,7,113.834,136.6,122.242,7.112
DBU,QG,7,1.430,1.882,1.775,0.154
DCL,C,3,67.715,68.706,68.144,0.509
DCL,CA,3,52.848,54.025,53.325,0.619
DCL,CB,3,41.425,42.456,41.923,0.516
DCL,CD1,3,23.713,24.281,24.088,0.325
DCL,CD2,3,25.725,26.495,26.095,0.386
DCL,CG,3,27.251,28.383,27.732,0.585
DCL,HA,3,3.967,4.067,4.019,0.050
DCL,HB1,3,1.321,3.439,2.096,1.168
DCL,HB2,3,1.269,3.477,2.130,1.181
DCL,HC1,3,1.532,3.614,2.888,1.176
DCL,HC2,3,1.221,3.729,2.833,1.399
DCL,HD11,3,0.861,0.917,0.889,0.028
DCL,HD12,3,0.861,0.917,0.889,0.028
DCL,HD13,3,0.861,0.917,0.889,0.028
DCL,HD21,3,0.931,0.965,0.950,0.017
DCL,HD22,3,0.931,0.965,0.950,0.017
DCL,HD23,3,0.931,0.965,0.950,0.017
DCL,HG,3,1.595,1.624,1.605,0.016
DCL,HN1,3,7.587,7.639,7.622,0.030
DCY,C,3,173.961,175.0,174.654,0.600
DCY,CA,5,55.53,81.8,66.796,13.719
DCY,CB,5,37.240,41.43,38.937,1.735
DCY,H,8,7.852,8.563,8.179,0.253
DCY,HA,10,4.036,5.075,4.556,0.347
DCY,HB1,2,3.16,3.18,3.170,0.014
DCY,HB2,9,2.541,3.73,3.125,0.403
DCY,HB3,7,2.449,3.286,2.925,0.273
DCY,N,2,117.019,117.599,117.309,0.410
DCZ,C1',6,85.212,85.374,85.295,0.051
DCZ,C3',6,75.058,75.717,75.371,0.324
DCZ,C4',5,85.479,85.781,85.651,0.136
DCZ,C5,6,96.814,96.949,96.880,0.056
DCZ,C6,6,140.423,140.555,140.484,0.051
DCZ,H1',18,5.733,5.98139,5.800,0.095
DCZ,H2'1,12,1.850,2.22973,2.011,0.161
DCZ,H2'2,12,2.365,2.63152,2.473,0.114
DCZ,H3',18,4.697,4.92743,4.759,0.088
DCZ,H4',13,4.055,4.071,4.064,0.005
DCZ,H5,18,5.852,6.14299,5.941,0.106
DCZ,H5'1,6,3.697,3.741,3.715,0.019
DCZ,H5'2,3,3.707,3.735,3.722,0.014
DCZ,H6,18,7.580,7.8753,7.669,0.111
DDA,C1,4,101.18,104.44,102.810,1.882
DDA,C2,6,38.06,56.80,44.997,9.190
DDA,C3,6,74.51,89.42,83.027,6.868
DDA,C4,8,77.68,90.11,82.543,5.482
DDA,C5,6,73.56,88.35,78.750,7.444
DDA,C6,8,14.66,29.64,21.080,5.776
DDA,H1,6,2.56,45.07,17.497,21.383
DDA,H21,3,1.11,13.46,5.450,6.945
DDA,H22,3,2.08,23.17,9.217,12.085
DDA,H2A,3,1.11,13.46,5.450,6.945
DDA,H2E,3,2.08,23.17,9.217,12.085
DDA,H3,6,2.25,21.82,9.240,9.765
DDA,H4,8,2.95,12.13,6.013,3.994
DDA,H5,6,2.88,22.68,9.603,10.130
DDA,H61,4,-3.84,9.64,2.080,5.584
DDA,H62,4,-3.84,9.64,2.080,5.584
DDA,H63,4,-3.84,9.64,2.080,5.584
DDA,HM6,4,-3.84,9.64,2.080,5.584
DDA,HO4,4,3.82,14.63,9.225,6.241
Dec_dzAb,H,1,9.6,9.6,9.600,
Dec_dzAb,HB,1,5.94,5.94,5.940,
Delta_A,H,2,9.84,10.11,9.975,0.191
Delta_A,HBC,1,5.73,5.73,5.730,
Delta_A,HBT,1,5.73,5.73,5.730,
DGL,CA,6,34.97,78.96,61.044,16.418
DGL,CB,4,5.681,31.32,18.603,10.468
DGL,CD,1,180.31,180.31,180.310,
DGL,CG,2,9.307,57.52,33.414,34.092
DGL,H,11,7.302,8.83,8.185,0.438
DGL,HA,13,3.766,4.511,4.190,0.226
DGL,HB,2,1.33,1.35,1.340,0.014
DGL,HB1,2,1.659,1.970,1.815,0.220
DGL,HB2,9,1.659,2.175,1.981,0.205
DGL,HB3,9,1.732,2.277,2.038,0.189
DGL,HG1,2,1.786,2.105,1.946,0.226
DGL,HG2,8,1.786,2.632,2.283,0.311
DGL,HG3,9,2.018,2.530,2.343,0.167
DGL,N,5,117.123,122.464,119.331,2.212
DGN,C,3,174.301,178.5,176.767,2.193
DGN,CA,6,54.987,57.325,56.318,1.047
DGN,CB,6,28.860,32.190,30.238,1.210
DGN,CG,6,33.536,34.5,33.849,0.364
DGN,H,10,6.910,8.776,8.216,0.554
DGN,HA,10,3.864,5.403,4.316,0.415
DGN,HB2,8,1.901,2.395,2.062,0.171
DGN,HB3,9,1.74,2.260,2.000,0.151
DGN,HE21,7,6.603,11.370,7.730,1.645
DGN,HE22,7,6.649,8.486,7.278,0.642
DGN,HG2,8,1.938,2.320,2.192,0.133
DGN,HG3,9,1.826,2.332,2.157,0.183
DGN,N,8,115.465,124.0,121.725,2.727
DGN,NE2,6,41.090,113.237,100.662,29.186
DGP,H1',2,6.253,6.280,6.267,0.019
DGP,H2',2,2.443,2.970,2.707,0.373
DGP,H2'',2,2.765,2.876,2.821,0.078
DGP,H3',2,4.664,4.725,4.695,0.043
DGP,H4',2,4.205,4.269,4.237,0.045
DGP,H5',1,3.909,3.909,3.909,
DGP,H5'',1,3.909,3.909,3.909,
DGP,H8,2,8.101,8.105,8.103,0.003
DGP,HN1,1,11.896,11.896,11.896,
DGP,HN21,1,6.310,6.310,6.310,
DGP,HN22,1,6.310,6.310,6.310,
DHA,C,14,164.9,169.0,167.107,1.545
DHA,CA,16,107.652,138.086,134.137,7.191
DHA,CB,19,27.064,156.855,101.142,28.552
DHA,H,25,5.943,10.476,9.048,1.065
DHA,HB1,18,2.837,6.76,5.941,0.903
DHA,HB2,24,2.553,6.410,5.450,0.658
DHA,HB3,6,5.097,5.987,5.405,0.324
DHA,N,12,116.4,124.873,120.975,2.489
DHA_2,H,2,8.224,9.169,8.697,0.668
DHA_2,HB1,2,5.958,6.253,6.106,0.209
DHA_2,HB2,2,5.458,5.499,5.479,0.029
DHA_2,N,2,123.031,126.596,124.814,2.521
DHAX,C,2,168.30,169.30,168.800,0.707
DHAX,CA,2,136.70,137.80,137.250,0.778
DHAX,CB,2,113.20,116.30,114.750,2.192
DHAX,H,2,9.11,9.76,9.435,0.460
DHAX,HB1,2,5.66,5.96,5.810,0.212
DHAX,HB2,2,5.55,5.68,5.615,0.092
DHAX,N,2,123.00,125.06,124.030,1.457
DHB_2,CG2,1,15.423,15.423,15.423,
DHB_2,H,1,12.663,12.663,12.663,
DHB_2,HB,1,6.033,6.033,6.033,
DHB_2,HG21,1,1.642,1.642,1.642,
DHB_2,N,1,139.087,139.087,139.087,
DHBX,C,1,168.90,168.90,168.900,
DHBX,CA,1,130.30,130.30,130.300,
DHBX,CB,1,137.90,137.90,137.900,
DHBX,CG1,1,15.40,15.40,15.400,
DHBX,H,2,9.11,9.73,9.420,0.438
DHBX,HA,1,6.70,6.70,6.700,
DHBX,HB,1,1.81,1.81,1.810,
DHBX,HB1,1,6.77,6.77,6.770,
DHBX,HD11,1,169.00,169.00,169.000,
DHBX,HD12,1,130.40,130.40,130.400,
DHBX,HD13,1,136.90,136.90,136.900,
DHBX,HG1,1,1.75,1.75,1.750,
DHBX,HG12,1,15.40,15.40,15.400,
DHBX,HG13,1,122.09,122.09,122.090,
DHBX,N,1,115.94,115.94,115.940,
DHE,H,1,8.2200,8.2200,8.220,
DHE,HB2,1,4.7000,4.7000,4.700,
DHE,HD1,1,7.150,7.150,7.150,
DHE,HD2,1,7.150,7.150,7.150,
DHE,HE1,1,7.3000,7.3000,7.300,
DHE,HE2,1,7.3000,7.3000,7.300,
DHE,HZ,1,7.6000,7.6000,7.600,
DHI,H,3,7.874,8.836,8.207,0.545
DHI,HA,3,4.212,5.033,4.633,0.411
DHI,HB2,3,2.797,3.164,3.016,0.194
DHI,HB3,3,2.721,3.068,2.851,0.189
DHI,HD2,3,6.889,7.225,7.019,0.180
DHI,HE1,2,8.259,8.259,8.259,0.000
DHI,N,1,118.411,118.411,118.411,
DHL,H,3,8.272,8.289,8.283,0.010
DHL,HA,3,6.800,6.802,6.801,0.001
DHL,HB2,3,5.485,5.516,5.497,0.017
DHL,HB3,1,5.242,5.242,5.242,
DI,H1,1,13.859,13.859,13.859,
DI,H1',2,5.659,6.437,6.048,0.550
DI,H2,1,7.719,7.719,7.719,
DI,H2',2,2.111,2.791,2.451,0.481
DI,H2'',2,2.369,3.180,2.775,0.573
DI,H3',1,5.103,5.103,5.103,
DI,H4',1,4.658,4.658,4.658,
DI,H8,2,7.966,8.246,8.106,0.198
DIL,CA,1,60.999,60.999,60.999,
DIL,H,1,8.632,8.632,8.632,
DIL,HA,1,4.300,4.300,4.300,
DIL,HB,1,1.975,1.975,1.975,
DIL,HD11,1,0.878,0.878,0.878,
DIL,HD12,1,0.878,0.878,0.878,
DIL,HD13,1,0.878,0.878,0.878,
DIL,HG12,1,1.195,1.195,1.195,
DIV,C,5,174.036,180.5,178.355,2.682
DIV,CA,5,59.606,61.3,60.659,0.792
DIV,CB1,7,25.2,30.221,27.812,1.784
DIV,CB2,7,20.235,27.9,23.247,2.521
DIV,CG,1,8.91,8.91,8.910,
DIV,CG1,6,6.938,62.186,16.723,22.296
DIV,H,7,7.414,8.06,7.800,0.220
DIV,HB11,4,1.19,2.327,2.010,0.548
DIV,HB12,6,1.70,1.922,1.829,0.091
DIV,HB13,3,2.140,2.281,2.230,0.078
DIV,HB2,1,1.44,1.44,1.440,
DIV,HB21,3,1.368,1.603,1.495,0.119
DIV,HB22,4,1.368,2.23,1.679,0.380
DIV,HB23,4,1.368,1.603,1.519,0.108
DIV,HG,1,0.78,0.78,0.780,
DIV,HG11,4,0.63,0.899,0.783,0.117
DIV,HG12,4,0.63,0.899,0.783,0.117
DIV,HG13,4,0.63,0.899,0.783,0.117
DIV,N,6,120.786,126.524,123.951,2.340
DIV,QB2,2,1.465,1.560,1.513,0.067
DIV,QG1,2,0.865,0.900,0.883,0.025
DKA,H21,1,2.303,2.303,2.303,
DKA,H31,1,1.143,1.143,1.143,
DKA,H41,1,1.007,1.007,1.007,
DKA,H51,1,0.908,0.908,0.908,
DKA,H61,1,0.841,0.841,0.841,
DKA,H71,1,0.650,0.650,0.650,
DLE,CA,1,55.80,55.80,55.800,
DLE,CB,1,42.29,42.29,42.290,
DLE,CD1,1,24.93,24.93,24.930,
DLE,CD2,1,24.92,24.92,24.920,
DLE,CG,1,27.06,27.06,27.060,
DLE,H,6,7.54,8.649,8.082,0.456
DLE,HA,6,4.28,4.47,4.387,0.066
DLE,HB2,5,1.48,1.676,1.566,0.071
DLE,HB3,6,1.375,1.676,1.561,0.111
DLE,HD1,1,0.926,0.926,0.926,
DLE,HD11,4,0.79,0.86,0.831,0.031
DLE,HD12,4,0.79,0.86,0.831,0.031
DLE,HD13,4,0.79,0.86,0.831,0.031
DLE,HD2,1,0.873,0.873,0.873,
DLE,HD21,5,0.733,0.92,0.824,0.080
DLE,HD22,5,0.640,0.92,0.805,0.111
DLE,HD23,4,0.755,0.92,0.846,0.071
DLE,HG,6,1.455,1.73,1.576,0.106
DLE,N,2,121.0,123.9,122.450,2.051
DLY,CA,3,56.55,58.875,57.768,1.167
DLY,CB,2,32.430,32.88,32.655,0.318
DLY,CD,1,28.99,28.99,28.990,
DLY,CG,2,24.910,24.95,24.930,0.028
DLY,H,10,7.048,8.862,8.000,0.554
DLY,HA,10,3.715,4.442,4.146,0.181
DLY,HB2,9,1.444,1.888,1.642,0.160
DLY,HB3,9,1.409,1.888,1.613,0.176
DLY,HD2,7,1.402,1.689,1.548,0.118
DLY,HD3,10,1.335,1.689,1.518,0.122
DLY,HE2,5,2.656,2.84,2.724,0.073
DLY,HE3,8,2.637,2.969,2.761,0.118
DLY,HG2,8,0.992,1.515,1.213,0.160
DLY,HG3,10,0.992,1.665,1.254,0.214
DLY,HZ1,5,7.258,7.686,7.563,0.173
DLY,HZ2,4,7.614,7.686,7.639,0.032
DLY,HZ3,4,7.614,7.686,7.639,0.032
DLY,N,3,117.188,121.800,119.573,2.310
DMA,CH3,2,3.010,3.279,3.145,0.190
DMA,H1',2,5.539,6.279,5.909,0.523
DMA,H2,1,7.708,7.708,7.708,
DMA,H2',1,4.596,4.596,4.596,
DMA,H8,2,7.656,7.902,7.779,0.174
DNE,CA,15,50.700,52.988,51.949,0.675
DNE,H,15,6.35,8.60,7.833,0.788
DNE,HA,15,4.20,4.95,4.667,0.222
DNE,HB2,15,1.40,1.92,1.688,0.128
DNE,HD2,15,1.15,1.36,1.269,0.061
DNE,HE1,14,0.80,0.91,0.866,0.034
DNE,HG2,11,1.61,2.04,1.767,0.136
DNM,CA,3,54.873,55.9,55.524,0.566
DNM,HA,3,5.02,5.21,5.107,0.096
DNM,HB2,3,1.61,1.90,1.793,0.159
DNM,HC3,1,3.01,3.01,3.010,
DNM,HD2,3,1.20,1.28,1.243,0.040
DNM,HD3,2,1.14,1.19,1.165,0.035
DNM,HE1,3,0.80,0.86,0.840,0.035
DNM,HG2,3,1.39,1.84,1.557,0.247
DNP,H,3,7.87,8.33,8.093,0.230
DNP,HA,3,4.34,4.60,4.463,0.131
DNP,HB2,3,2.98,3.22,3.123,0.127
DNP,HB3,3,3.55,3.60,3.580,0.026
DNP,HG1,1,7.82,7.82,7.820,
DNR,H1',2,6.27,6.32,6.295,0.035
DNR,H2',2,0.78,1.06,0.920,0.198
DNR,H2'',2,2.09,2.26,2.175,0.120
DNR,H41,2,7.28,8.19,7.735,0.643
DNR,H42,2,8.62,10.66,9.640,1.442
DNR,H5,2,5.95,6.11,6.030,0.113
DNR,H6,2,7.44,7.45,7.445,0.007
DNS,CA,1,56.733,56.733,56.733,
DNS,H,1,7.846,7.846,7.846,
DNS,H10,1,7.292,7.292,7.292,
DNS,H11A,1,2.447,2.447,2.447,
DNS,H12,1,2.447,2.447,2.447,
DNS,H13,1,2.447,2.447,2.447,
DNS,H21,1,2.447,2.447,2.447,
DNS,H22,1,2.447,2.447,2.447,
DNS,H23,1,2.447,2.447,2.447,
DNS,H4,1,8.069,8.069,8.069,
DNS,H5,1,7.198,7.198,7.198,
DNS,H6,1,7.644,7.644,7.644,
DNS,H9,1,7.408,7.408,7.408,
DNS,HA,1,4.165,4.165,4.165,
DNS,HB2,1,1.779,1.779,1.779,
DNS,HB3,1,1.706,1.706,1.706,
DNS,HD2,1,1.706,1.706,1.706,
DNS,HD3,1,1.706,1.706,1.706,
DNS,HE2,1,2.773,2.773,2.773,
DNS,HE3,1,2.773,2.773,2.773,
DNS,HG2,1,1.266,1.266,1.266,
DNS,HG3,1,1.133,1.133,1.133,
DNS,HZ,1,6.953,6.953,6.953,
DP,C1',1,82.280,82.280,82.280,
DP,C2',1,37.551,37.551,37.551,
DP,C3',1,76.252,76.252,76.252,
DP,C4',1,84.569,84.569,84.569,
DP,C7,1,107.730,107.730,107.730,
DP,C8,1,115.446,115.446,115.446,
DP,H1',1,5.989,5.989,5.989,
DP,H2',1,2.423,2.423,2.423,
DP,H2'',1,2.685,2.685,2.685,
DP,H3',1,4.934,4.934,4.934,
DP,H4',1,4.358,4.358,4.358,
DP,H5',1,4.151,4.151,4.151,
DP,H7,1,6.735,6.735,6.735,
DP,H8,1,7.254,7.254,7.254,
DP,P,1,-1.302,-1.302,-1.302,
DPN,CA,5,53.780,57.466,55.263,1.502
DPN,CB,5,36.593,40.693,38.498,1.534
DPN,H,17,7.728,9.190,8.262,0.407
DPN,HA,19,4.120,5.445,4.702,0.326
DPN,HB2,18,2.749,3.546,3.061,0.234
DPN,HB3,17,2.659,3.546,2.945,0.238
DPN,HD1,9,6.778,7.298,7.111,0.183
DPN,HD2,9,6.778,7.259,7.073,0.182
DPN,HE1,7,6.978,7.359,7.235,0.128
DPN,HE2,8,6.978,7.359,7.234,0.112
DPN,HZ,2,7.189,7.228,7.209,0.028
DPN,N,4,120.196,130.670,125.103,4.299
DPP,H,2,8.125,8.137,8.131,0.008
DPP,HA,2,4.565,4.569,4.567,0.003
DPP,HB2,2,4.033,4.048,4.041,0.011
DPP,HB3,2,3.342,3.346,3.344,0.003
DPP,HG1,2,8.030,8.057,8.044,0.019
DPP,N,1,113.831,113.831,113.831,
DPP,NG,1,115.858,115.858,115.858,
DPR,C,1,174.9,174.9,174.900,
DPR,CA,8,57.943,65.124,62.025,2.202
DPR,CB,9,30.431,31.912,30.999,0.661
DPR,CD,7,50.709,51.081,50.936,0.138
DPR,CG,6,27.545,28.362,27.864,0.271
DPR,H,1,7.194,7.194,7.194,
DPR,HA,43,3.659,4.779,4.476,0.246
DPR,HB2,40,1.700,2.404,2.107,0.199
DPR,HB3,40,1.563,2.457,2.091,0.228
DPR,HD2,40,2.68,4.152,3.687,0.267
DPR,HD3,43,2.470,3.986,3.614,0.266
DPR,HG2,38,0.925,2.209,1.977,0.231
DPR,HG3,40,0.903,2.197,1.928,0.282
DQDPPN,CH21,4,5.43,5.94,5.733,0.219
DQDPPN,CH22,4,5.51,5.94,5.780,0.190
DQDPPN,H1,4,9.32,9.79,9.610,0.205
DQDPPN,H2,4,8.31,8.84,8.623,0.230
DQDPPN,H3,3,9.86,10.08,9.973,0.110
DQDPPN,H4,4,7.99,9.57,8.575,0.688
DQDPPN,H5,4,7.68,8.07,7.905,0.171
DQDPPN,H6,4,7.39,7.78,7.618,0.167
DSE,H,2,3.08,3.08,3.080,0.000
DSE,HA,2,4.91,4.92,4.915,0.007
DSE,HB2,2,3.95,3.96,3.955,0.007
DSE,HB3,2,4.03,4.03,4.030,0.000
DSG,C,1,177.664,177.664,177.664,
DSG,CA,4,50.4,67.093,55.969,7.536
DSG,CB,4,36.7,41.150,38.745,1.851
DSG,H,8,7.684,8.520,8.155,0.260
DSG,HA,7,4.47,5.172,4.713,0.250
DSG,HB2,8,2.50,3.231,2.749,0.256
DSG,HB3,7,2.52,3.128,2.774,0.192
DSG,HD21,8,6.80,7.787,7.234,0.350
DSG,HD22,8,6.75,7.596,7.127,0.319
DSG,N,4,111.903,123.100,118.632,4.777
DSG,ND2,4,113.270,114.247,113.627,0.459
DSN,C,4,174.9,178.135,176.029,1.520
DSN,CA,5,55.0,72.672,62.108,6.444
DSN,CB,5,31.2,65.273,56.971,14.483
DSN,H,15,7.299,9.96,8.282,0.604
DSN,HA,16,3.956,4.8744,4.452,0.249
DSN,HB2,17,2.17,4.336,3.725,0.447
DSN,HB3,15,2.43,4.106,3.669,0.378
DSN,HG,2,1.454,4.87,3.162,2.415
DSN,N,5,109.923,118.97,115.597,3.367
DTH,C,4,172.171,177.783,174.836,2.738
DTH,CA,5,58.113,72.429,64.201,7.491
DTH,CB,6,70.907,76.889,73.446,2.199
DTH,CG2,6,17.751,20.030,18.536,0.826
DTH,H,9,7.23,8.548,8.033,0.493
DTH,HA,7,4.250,5.137,4.675,0.309
DTH,HB,11,3.888,5.567,4.592,0.662
DTH,HG1,1,5.138,5.138,5.138,
DTH,HG21,7,1.013,1.197,1.121,0.077
DTH,HG22,7,1.113,1.418,1.215,0.103
DTH,HG23,4,1.113,1.193,1.154,0.033
DTH,N,4,110.675,123.631,118.608,5.555
DTR,CA,4,49.841,58.34,55.242,3.757
DTR,CB,5,21.452,30.550,26.706,4.318
DTR,CD1,5,119.8,127.900,124.520,4.061
DTR,CE3,5,113.8,121.610,118.294,3.925
DTR,CH2,5,117.3,124.760,121.840,3.938
DTR,CZ2,5,107.3,114.840,111.823,3.950
DTR,CZ3,5,114.7,122.09,119.156,3.830
DTR,H,22,7.708,8.85,8.372,0.313
DTR,HA,28,4.194,5.360,4.570,0.304
DTR,HB2,28,2.659,3.37,2.981,0.190
DTR,HB3,23,2.663,3.660,3.072,0.300
DTR,HD1,27,6.850,7.423,7.084,0.163
DTR,HE1,27,9.316,10.918,10.367,0.401
DTR,HE3,25,6.702,7.800,7.466,0.208
DTR,HH2,23,6.920,7.44,7.113,0.139
DTR,HN,6,8.240,8.369,8.302,0.044
DTR,HZ2,24,7.237,7.690,7.384,0.123
DTR,HZ3,23,6.907,7.37,7.043,0.119
DTR,N,2,115.290,123.691,119.491,5.940
DTR,NE1,1,129.402,129.402,129.402,
DTT,H2,1,3.73,3.73,3.730,
DTT,H3,1,3.73,3.73,3.730,
DTY,CA,2,55.5,76.082,65.791,14.554
DTY,CB,2,35.4,45.007,40.204,6.793
DTY,CD1,1,129.5,129.5,129.500,
DTY,CD2,1,129.5,129.5,129.500,
DTY,CE1,1,114.9,114.9,114.900,
DTY,CE2,1,114.9,114.9,114.900,
DTY,H,4,8.204,8.56,8.388,0.168
DTY,HA,3,4.21,4.656,4.392,0.234
DTY,HB2,4,2.68,3.164,2.888,0.234
DTY,HB3,4,2.376,2.95,2.660,0.236
DTY,HD1,3,6.616,7.00,6.872,0.222
DTY,HD2,2,7.01,7.06,7.035,0.035
DTY,HE1,3,6.481,6.65,6.587,0.092
DTY,HE2,2,6.64,6.66,6.650,0.014
DTY,HH,2,9.18,9.19,9.185,0.007
DTY,N,1,129.274,129.274,129.274,
DU,H1',13,5.64,6.35,6.037,0.228
DU,H2',13,1.49,2.45,2.159,0.318
DU,H2'',13,1.954,2.80,2.524,0.243
DU,H3,8,11.22,14.38,13.036,1.441
DU,H3',13,4.488,4.91,4.787,0.142
DU,H4',13,3.758,4.51,4.244,0.186
DU,H5,13,1.98,5.73,4.098,1.731
DU,H5',10,3.722,4.24,4.072,0.200
DU,H5'',9,3.72,4.28,4.083,0.224
DU,H6,13,7.15,7.95,7.634,0.253
DU,P,3,-3.247,0.513,-1.728,1.981
DUR,H1',1,6.13,6.13,6.130,
DUR,H2',1,2.11,2.11,2.110,
DUR,H2'',1,2.39,2.39,2.390,
DUR,H3',1,4.66,4.66,4.660,
DUR,H4',1,4.22,4.22,4.220,
DUR,H5,1,5.81,5.81,5.810,
DUR,H5',1,4.05,4.05,4.050,
DUR,H5'',1,3.97,3.97,3.970,
DUR,H6,1,7.80,7.80,7.800,
DVA,H,7,7.329,8.358,7.878,0.428
DVA,H1,2,7.6920,7.7087,7.700,0.012
DVA,HA,9,3.914,4.415,4.196,0.155
DVA,HB,9,1.811,2.183,2.044,0.117
DVA,HG1,2,0.955,0.983,0.969,0.020
DVA,HG11,6,0.420,1.025,0.818,0.208
DVA,HG12,2,0.8897,0.8998,0.895,0.007
DVA,HG13,2,0.8897,0.8998,0.895,0.007
DVA,HG2,2,0.918,0.961,0.940,0.030
DVA,HG21,5,0.712,0.990,0.893,0.110
DVA,HG22,2,0.8897,0.8998,0.895,0.007
DVA,HG23,2,0.8897,0.8998,0.895,0.007
DVA,N,3,119.092,126.923,123.168,3.925
DX,H1',2,6.24,6.33,6.285,0.064
DX,H2,2,5.83,5.83,5.830,0.000
DX,H2',2,3.82,3.92,3.870,0.071
DX,H3',2,4.86,4.87,4.865,0.007
DX,H4',1,4.65,4.65,4.650,
DX,H8,2,7.93,7.94,7.935,0.007
DXB,C10,2,114.94,114.94,114.940,0.000
DXB,C1S,4,85.15,118.15,101.650,19.053
DXB,C2,2,80.82,80.82,80.820,0.000
DXB,C3S,4,74.50,82.35,78.425,4.532
DXB,C4,2,30.63,30.63,30.630,0.000
DXB,C4S,4,65.69,71.43,68.560,3.314
DXB,C5,2,102.55,102.55,102.550,0.000
DXB,C5S,4,16.72,21.53,19.125,2.777
DXB,CC7,4,13.02,36.67,24.845,13.654
DXB,CME,4,51.55,61.48,56.515,5.733
DXB,H10,4,6.61,15.25,10.930,4.988
DXB,H2,2,-59.28,4.59,-27.345,45.163
DXB,H21,2,-59.28,4.59,-27.345,45.163
DXB,H22,2,-59.28,4.59,-27.345,45.163
DXB,H3,4,-19.06,2.77,-8.145,12.604
DXB,H4A,4,-8.82,2.77,-3.025,6.691
DXB,H4E,4,-1.41,2.57,0.580,2.298
DXB,H5,4,6.91,32.16,19.535,14.578
DXB,HM1,2,-5.60,3.41,-1.095,6.371
DXB,HM11,2,-5.60,3.41,-1.095,6.371
DXB,HM12,2,-5.60,3.41,-1.095,6.371
DXB,HM13,2,-5.60,3.41,-1.095,6.371
DXB,HM5,2,-3.16,1.33,-0.915,3.175
DXB,HM51,2,-3.16,1.33,-0.915,3.175
DXB,HM52,2,-3.16,1.33,-0.915,3.175
DXB,HM53,2,-3.16,1.33,-0.915,3.175
DXB,HM7,2,2.60,26.93,14.765,17.204
DXB,HM71,2,2.60,26.93,14.765,17.204
DXB,HM72,2,2.60,26.93,14.765,17.204
DXB,HM73,2,2.60,26.93,14.765,17.204
DXB,HS1,4,-11.45,4.96,-3.245,9.474
DXB,HS3,4,-3.21,4.19,0.490,4.272
DXB,HS4,4,-1.69,4.27,1.290,3.441
DZ,C1',1,72.198,72.198,72.198,
DZ,C2',1,38.890,38.890,38.890,
DZ,C3',1,75.332,75.332,75.332,
DZ,C4',1,83.033,83.033,83.033,
DZ,C6,1,132.415,132.415,132.415,
DZ,H1',1,4.435,4.435,4.435,
DZ,H2',1,1.888,1.888,1.888,
DZ,H2'',1,2.252,2.252,2.252,
DZ,H3',1,4.630,4.630,4.630,
DZ,H4,1,7.738,7.738,7.738,
DZ,H4',1,4.145,4.145,4.145,
DZ,P,1,-1.201,-1.201,-1.201,
dzAbu,H,4,9.27,10.08,9.550,0.366
dzAbu,HB,4,6.63,6.83,6.735,0.088
dzAbu,HG,1,1.85,1.85,1.850,
E,C1,1,95.10,95.10,95.100,
E,C2,1,72.10,72.10,72.100,
E,C3,1,68.20,68.20,68.200,
E,C4,1,79.90,79.90,79.900,
E,C5,1,72.00,72.00,72.000,
E,C6,1,174.0,174.0,174.000,
E,H1,1,5.330,5.330,5.330,
E,H2,1,3.990,3.990,3.990,
E,H3,1,4.030,4.030,4.030,
E,H4,1,4.470,4.470,4.470,
E,H5,1,4.230,4.230,4.230,
E9M,2HN,1,2.914,2.914,2.914,
E9M,3HN,1,2.914,2.914,2.914,
E9M,CA,1,62.985,62.985,62.985,
E9M,CB,1,27.140,27.140,27.140,
E9M,H1,1,2.914,2.914,2.914,
E9M,HA,2,4.181,5.198,4.690,0.719
E9M,HB2,2,3.174,3.748,3.461,0.406
E9M,HB3,2,3.070,3.132,3.101,0.044
E9M,HD1,2,7.119,7.337,7.228,0.154
E9M,HE1,2,10.179,10.248,10.214,0.049
E9M,HE3,2,7.428,7.603,7.516,0.124
E9M,HZ2,2,7.443,7.570,7.507,0.090
E9M,HZ3,1,7.192,7.192,7.192,
E9M,N,1,2.866,2.866,2.866,
E9V,CA,1,56.719,56.719,56.719,
E9V,CB,1,26.724,26.724,26.724,
E9V,HA,1,5.438,5.438,5.438,
E9V,HB2,1,3.283,3.283,3.283,
E9V,HB3,1,3.201,3.201,3.201,
E9V,HD2,1,7.131,7.131,7.131,
E9V,HE1,1,8.196,8.196,8.196,
E9V,N,1,3.098,3.098,3.098,
EAB,HA2,3,3.718,4.405,4.141,0.370
EAB,HA3,3,3.790,4.430,4.188,0.348
EAB,HD2,3,6.455,7.393,6.951,0.471
EAB,HE,3,5.492,7.631,6.494,1.076
EAB,HG1,3,5.807,7.819,6.887,1.014
EAB,HG2,3,6.327,7.474,6.959,0.582
EAB,HJ1,3,5.980,7.768,6.827,0.898
EAB,HJ2,2,6.031,6.673,6.352,0.454
EAB,HK2,3,6.887,7.657,7.208,0.400
EAB,HL,3,6.973,7.360,7.109,0.218
EAB,HM2,3,3.075,3.829,3.496,0.385
EAB,HM3,3,3.584,3.829,3.697,0.124
EAB,HN1,3,7.643,8.281,8.063,0.364
EAN,C1',6,91.764,92.001,91.915,0.084
EAN,C4',3,93.400,93.570,93.463,0.093
EAN,C6,3,137.626,138.408,137.963,0.402
EAN,C6',3,25.476,25.686,25.546,0.121
EAN,C7',3,40.576,41.959,41.466,0.772
EAN,C8',3,17.226,17.331,17.286,0.054
EAN,H1',10,6.014,6.202,6.104,0.062
EAN,H2',10,2.878,3.497,3.149,0.193
EAN,H2'',10,3.292,3.412,3.350,0.036
EAN,H3,9,13.422,14.660,14.010,0.449
EAN,H4',7,4.852,4.941,4.895,0.037
EAN,H6,10,7.592,7.770,7.687,0.067
EAN,H6',6,1.990,2.055,2.020,0.025
EAN,H7',10,1.946,2.156,2.053,0.078
EAN,H7'',10,2.695,2.814,2.758,0.031
EAN,H71,10,1.687,1.925,1.809,0.087
EAN,H72,10,1.687,1.925,1.809,0.087
EAN,H73,10,1.687,1.925,1.809,0.087
EAN,H8',7,1.332,1.361,1.346,0.011
EAN,H8'',6,1.778,2.012,1.859,0.080
EB4,H10,1,6.05,6.05,6.050,
EB4,H11,1,5.84,5.84,5.840,
EB4,H12,1,6.01,6.01,6.010,
EB4,H13,1,6.67,6.67,6.670,
EB4,H14,1,6.37,6.37,6.370,
EB4,H15,1,5.98,5.98,5.980,
EB4,H7,1,6.27,6.27,6.270,
EB4,H8,1,6.25,6.25,6.250,
EB4,H9,1,6.99,6.99,6.990,
EDI,H1',1,6.12,6.12,6.120,
EDI,H2,1,7.74,7.74,7.740,
EDI,H2',1,2.68,2.68,2.680,
EDI,H2'',1,2.81,2.81,2.810,
EDI,H3',1,4.95,4.95,4.950,
EDI,H4',1,4.40,4.40,4.400,
EDI,H8,1,8.26,8.26,8.260,
EDO,H11,1,3.76,3.76,3.760,
EDO,H12,1,3.76,3.76,3.760,
EDO,H21,1,4.06,4.06,4.060,
EDO,H22,1,3.98,3.98,3.980,
EMD,H12,1,6.64,6.64,6.640,
EMD,H13,1,7.24,7.24,7.240,
EMD,H171,1,2.96,2.96,2.960,
EMD,H172,1,2.96,2.96,2.960,
EMD,H20,1,6.94,6.94,6.940,
EMD,H23,1,6.86,6.86,6.860,
EMD,H24,1,6.95,6.95,6.950,
EMD,H251,1,3.69,3.69,3.690,
EMD,H252,1,3.69,3.69,3.690,
EMD,H253,1,3.69,3.69,3.690,
EMD,H261,1,3.79,3.79,3.790,
EMD,H262,1,3.79,3.79,3.790,
EMD,H263,1,3.79,3.79,3.790,
EMD,H6,1,4.11,4.11,4.110,
EMD,H71,1,1.24,1.24,1.240,
EMD,H72,1,1.24,1.24,1.240,
EMD,H73,1,1.24,1.24,1.240,
EMD,H9,1,7.60,7.60,7.600,
ETA,HA1,2,3.38,3.38,3.380,0.000
ETA,HA2,2,3.38,3.38,3.380,0.000
ETA,HB1,2,3.38,3.54,3.460,0.113
ETA,HB2,2,3.38,3.54,3.460,0.113
ETA,HN1,2,7.66,7.75,7.705,0.064
ETA,HN2,2,7.66,7.75,7.705,0.064
ETA,HO,2,3.79,3.82,3.805,0.021
ETA,N,2,111.70,112.10,111.900,0.283
EWV,1H1,1,5.967,5.967,5.967,
EWV,2H1,1,5.515,5.515,5.515,
EWV,3H1,1,7.880,7.880,7.880,
EWV,H1,1,6.809,6.809,6.809,
EWV,H4,1,6.385,6.385,6.385,
EWV,H61,1,2.551,2.551,2.551,
EWV,H62,1,2.919,2.919,2.919,
EWV,H8,1,6.813,6.813,6.813,
EWV,HA1,1,3.487,3.487,3.487,
EWV,HA2,1,3.487,3.487,3.487,
EWV,HA3,1,3.487,3.487,3.487,
EWV,HB1,1,3.567,3.567,3.567,
EWV,HB2,1,3.567,3.567,3.567,
EWV,HB3,1,3.567,3.567,3.567,
EWV,HC1,1,6.249,6.249,6.249,
EWV,HC2,1,6.166,6.166,6.166,
F,C1,1,102.6,102.6,102.600,
F,C2,1,77.00,77.00,77.000,
F,C3,1,74.20,74.20,74.200,
F,C4,1,70.10,70.10,70.100,
F,C5,1,78.30,78.30,78.300,
F,C6,1,61.80,61.80,61.800,
F,H1,1,4.990,4.990,4.990,
F,H2,1,4.310,4.310,4.310,
F,H3,1,3.730,3.730,3.730,
F,H4,1,3.910,3.910,3.910,
F,H5,1,3.340,3.340,3.340,
F,H61,1,3.770,3.770,3.770,
F,H62,1,3.920,3.920,3.920,
F191,H10,1,7.160,7.160,7.160,
F191,H11,1,0.980,0.980,0.980,
F191,H12,1,1.160,1.160,1.160,
F191,H121,1,7.160,7.160,7.160,
F191,H131,1,7.320,7.320,7.320,
F191,H14,1,2.220,2.220,2.220,
F191,H21,1,3.200,3.200,3.200,
F191,H22,1,2.940,2.940,2.940,
F191,H31,1,3.000,3.000,3.000,
F191,H32,1,2.870,2.870,2.870,
F191,H41,1,3.000,3.000,3.000,
F191,H42,1,2.870,2.870,2.870,
F191,H51,1,3.200,3.200,3.200,
F191,H52,1,2.940,2.940,2.940,
F191,H71,1,3.480,3.480,3.480,
F191,H72,1,3.300,3.300,3.300,
F191,H9,1,7.320,7.320,7.320,
F4Q,6H',1,1.906,1.906,1.906,
F4Q,C1',4,90.521,90.887,90.694,0.150
F4Q,C4',2,93.149,93.337,93.243,0.133
F4Q,C6',2,25.433,25.686,25.560,0.179
F4Q,C7',3,41.058,41.698,41.356,0.322
F4Q,C8,2,136.309,136.318,136.314,0.006
F4Q,C8',2,17.174,17.203,17.189,0.021
F4Q,H1,8,12.552,13.435,13.032,0.331
F4Q,H1',10,6.158,6.465,6.315,0.098
F4Q,H2',10,2.917,3.308,3.212,0.116
F4Q,H2'',10,2.938,3.418,3.302,0.136
F4Q,H21,3,7.635,8.464,8.176,0.469
F4Q,H22,2,5.983,6.048,6.016,0.046
F4Q,H4',6,4.820,4.927,4.874,0.035
F4Q,H6',6,1.683,1.923,1.842,0.096
F4Q,H7',9,1.448,1.759,1.619,0.106
F4Q,H7'',9,2.530,2.772,2.635,0.096
F4Q,H8,10,7.381,8.366,7.664,0.299
F4Q,H8',6,1.071,1.223,1.180,0.058
F4Q,H8'',6,1.684,1.829,1.765,0.048
F7H,C1',1,89.614,89.614,89.614,
F7H,C2',1,45.754,45.754,45.754,
F7H,C4',1,92.956,92.956,92.956,
F7H,C6',1,25.800,25.800,25.800,
F7H,C7,1,14.971,14.971,14.971,
F7H,C7',1,42.525,42.525,42.525,
F7H,C8',1,18.974,18.974,18.974,
F7H,H1',1,6.187,6.187,6.187,
F7H,H2',1,2.882,2.882,2.882,
F7H,H2'',1,3.301,3.301,3.301,
F7H,H4',1,4.734,4.734,4.734,
F7H,H6,1,7.933,7.933,7.933,
F7H,H6',1,1.928,1.928,1.928,
F7H,H7',1,2.278,2.278,2.278,
F7H,H7'',1,2.453,2.453,2.453,
F7H,H71,1,2.127,2.127,2.127,
F7H,H72,1,2.127,2.127,2.127,
F7H,H73,1,2.127,2.127,2.127,
F7H,H8',1,1.106,1.106,1.106,
F7H,H8'',1,1.818,1.818,1.818,
FAD,1H5*,1,4.388,4.388,4.388,
FAD,1HM7,1,1.216,1.216,1.216,
FAD,1HM8,1,1.328,1.328,1.328,
FAD,2H5*,1,4.130,4.130,4.130,
FAD,2HM7,1,1.216,1.216,1.216,
FAD,2HM8,1,1.328,1.328,1.328,
FAD,3HM7,1,1.216,1.216,1.216,
FAD,3HM8,1,1.328,1.328,1.328,
FAD,AC1*,1,87.180,87.180,87.180,
FAD,AC2*,1,74.896,74.896,74.896,
FAD,AC3*,1,70.087,70.087,70.087,
FAD,AC4*,1,83.830,83.830,83.830,
FAD,AC5*,1,65.245,65.245,65.245,
FAD,AH1*,1,6.160,6.160,6.160,
FAD,AH2*,1,4.550,4.550,4.550,
FAD,AH3*,1,4.508,4.508,4.508,
FAD,AH4*,1,4.413,4.413,4.413,
FAD,AH51,1,4.370,4.370,4.370,
FAD,AH52,1,4.238,4.238,4.238,
FAD,C1*,1,47.982,47.982,47.982,
FAD,C2*,1,69.732,69.732,69.732,
FAD,C3*,1,73.323,73.323,73.323,
FAD,C4*,1,71.274,71.274,71.274,
FAD,C5*,1,67.904,67.904,67.904,
FAD,H11*,1,5.201,5.201,5.201,
FAD,H12*,1,5.023,5.023,5.023,
FAD,H2*,1,4.491,4.491,4.491,
FAD,H3*,1,3.986,3.986,3.986,
FAD,H4*,1,4.136,4.136,4.136,
FAD,H9,1,7.986,7.986,7.986,
FAG,H1',6,5.045,6.332,5.561,0.475
FAG,H2',5,1.847,2.931,2.185,0.453
FAG,H2'',5,1.878,2.795,2.219,0.343
FAG,H2'1,1,1.916,1.916,1.916,
FAG,H2'2,1,2.009,2.009,2.009,
FAG,H2a,1,1.756,1.756,1.756,
FAG,H2A,2,1.673,1.684,1.679,0.008
FAG,H2A1,2,0.975,1.771,1.373,0.563
FAG,H2A2,2,1.650,1.880,1.765,0.163
FAG,H2b,1,1.840,1.840,1.840,
FAG,H2B,2,1.764,1.790,1.777,0.018
FAG,H3,1,11.81,11.81,11.810,
FAG,H3',6,4.488,5.032,4.606,0.211
FAG,H31,2,1.845,2.579,2.212,0.519
FAG,H32,2,2.283,2.873,2.578,0.417
FAG,H3a,1,2.571,2.571,2.571,
FAG,H3A,2,2.520,2.561,2.541,0.029
FAG,H3b,1,3.189,3.189,3.189,
FAG,H3B,2,2.766,2.974,2.870,0.147
FAG,H4',3,4.018,4.645,4.257,0.339
FAG,H5,4,5.723,5.740,5.730,0.008
FAG,H5',3,3.820,4.216,4.003,0.200
FAG,H5'',3,3.737,4.451,4.003,0.390
FAG,H5B,3,5.708,5.802,5.747,0.049
FAG,H6a,2,6.130,6.138,6.134,0.006
FAG,H6A,4,6.183,6.229,6.202,0.019
FAG,H7,4,3.471,3.572,3.514,0.045
FAG,H8,6,7.703,8.350,8.115,0.316
FAG,H8A,6,5.657,6.239,5.880,0.259
FAG,H9,6,4.630,6.157,5.206,0.720
FAG,H9a,2,3.467,3.655,3.561,0.133
FAG,H9A,4,3.609,3.700,3.653,0.038
FAG,HM,1,3.510,3.510,3.510,
FAG,HN21,1,6.319,6.319,6.319,
FAG,HN22,1,6.777,6.777,6.777,
FAG,Me,1,3.757,3.757,3.757,
FAR,C1,1,32.187,32.187,32.187,
FAR,C10,1,18.700,18.700,18.700,
FAR,C11,1,29.298,29.298,29.298,
FAR,C12,1,127.093,127.093,127.093,
FAR,C14,1,20.405,20.405,20.405,
FAR,C15,1,28.433,28.433,28.433,
FAR,C2,1,122.723,122.723,122.723,
FAR,C4,1,18.700,18.700,18.700,
FAR,C5,1,42.331,42.331,42.331,
FAR,C6,1,29.040,29.040,29.040,
FAR,C7,1,127.093,127.093,127.093,
FAR,C9,1,42.350,42.350,42.350,
FAR,H101,1,1.379,1.379,1.379,
FAR,H102,1,1.379,1.379,1.379,
FAR,H103,1,1.379,1.379,1.379,
FAR,H11,1,2.992,2.992,2.992,
FAR,H111,1,1.858,1.858,1.858,
FAR,H112,1,1.858,1.858,1.858,
FAR,H12,1,4.879,4.879,4.879,
FAR,H12A,1,3.118,3.118,3.118,
FAR,H141,1,1.376,1.376,1.376,
FAR,H142,1,1.376,1.376,1.376,
FAR,H143,1,1.376,1.376,1.376,
FAR,H151,1,1.457,1.457,1.457,
FAR,H152,1,1.457,1.457,1.457,
FAR,H153,1,1.457,1.457,1.457,
FAR,H2,1,5.005,5.005,5.005,
FAR,H41,1,1.483,1.483,1.483,
FAR,H42,1,1.483,1.483,1.483,
FAR,H43,1,1.483,1.483,1.483,
FAR,H51,1,1.812,1.812,1.812,
FAR,H52,1,1.812,1.812,1.812,
FAR,H61,1,1.887,1.887,1.887,
FAR,H62,1,1.887,1.887,1.887,
FAR,H7,1,4.883,4.883,4.883,
FAR,H91,1,1.764,1.764,1.764,
FAR,H92,1,1.764,1.764,1.764,
FC,H1',2,5.798,5.812,5.805,0.010
FC,H2',2,5.056,5.116,5.086,0.042
FC,H5,2,5.415,5.672,5.544,0.182
FC,H6,2,7.649,7.747,7.698,0.069
FDA,1HM7,1,8.506,8.506,8.506,
FDA,1HM8,1,6.711,6.711,6.711,
FDA,2HM8,1,6.899,6.899,6.899,
FDA,AH61,1,7.163,7.163,7.163,
FDA,AH62,1,7.985,7.985,7.985,
FDA,AN6,1,84.432,84.432,84.432,
FDA,HN3,1,10.604,10.604,10.604,
FDA,N3,1,118.095,118.095,118.095,
FG,H1,3,12.446,13.086,12.670,0.361
FG,H1',4,5.877,6.197,6.093,0.147
FG,H2',4,5.096,5.570,5.226,0.230
FG,H3',2,4.516,4.688,4.602,0.122
FG,H8,4,6.963,8.095,7.473,0.498
FGW,H10,1,5.388,5.388,5.388,
FGW,H111,1,3.632,3.632,3.632,
FGW,H112,1,3.632,3.632,3.632,
FGW,H113,1,3.632,3.632,3.632,
FGW,H13,1,6.299,6.299,6.299,
FGW,H15,1,7.069,7.069,7.069,
FGW,H221,1,3.717,3.717,3.717,
FGW,H222,1,3.717,3.717,3.717,
FGW,H223,1,3.717,3.717,3.717,
FGW,H23,1,6.353,6.353,6.353,
FGW,H25,1,7.500,7.500,7.500,
FGW,H33,1,6.200,6.200,6.200,
FGW,H331,1,3.868,3.868,3.868,
FGW,H332,1,3.868,3.868,3.868,
FGW,H333,1,3.868,3.868,3.868,
FGW,H35,1,7.597,7.597,7.597,
FGW,H44,1,7.464,7.464,7.464,
FGW,H441,1,3.950,3.950,3.950,
FGW,H442,1,3.950,3.950,3.950,
FGW,H443,1,3.950,3.950,3.950,
FGW,H53,1,6.458,6.458,6.458,
FGW,H55,1,7.100,7.100,7.100,
FGW,H551,1,3.589,3.589,3.589,
FGW,H552,1,3.589,3.589,3.589,
FGW,H553,1,3.589,3.589,3.589,
FGW,H63,1,6.235,6.235,6.235,
FGW,H65,1,7.618,7.618,7.618,
FGW,H661,1,3.791,3.791,3.791,
FGW,H662,1,3.791,3.791,3.791,
FGW,H663,1,3.791,3.791,3.791,
FGW,H73,1,6.052,6.052,6.052,
FGW,H75,1,7.576,7.576,7.576,
FGW,H771,1,3.909,3.909,3.909,
FGW,H772,1,3.909,3.909,3.909,
FGW,H773,1,3.909,3.909,3.909,
FGW,H83,1,7.100,7.100,7.100,
FGW,H84,1,7.275,7.275,7.275,
FGW,H881,1,1.390,1.390,1.390,
FGW,H882,1,1.390,1.390,1.390,
FGW,H883,1,1.390,1.390,1.390,
FGW,H991,1,1.662,1.662,1.662,
FGW,H992,1,1.662,1.662,1.662,
FGW,H993,1,1.662,1.662,1.662,
FGW,HN1,1,9.362,9.362,9.362,
FGW,HN2,1,10.700,10.700,10.700,
FGW,HN3,1,9.852,9.852,9.852,
FGW,HN4,1,10.482,10.482,10.482,
FGW,HN5,1,9.106,9.106,9.106,
FGW,HN6,1,10.470,10.470,10.470,
FGW,HN7,1,9.591,9.591,9.591,
FKZ,H,1,8.060,8.060,8.060,
FKZ,H11,1,3.104,3.104,3.104,
FKZ,H12,1,3.104,3.104,3.104,
FKZ,H21,1,1.438,1.438,1.438,
FKZ,H22,1,1.438,1.438,1.438,
FKZ,H31,1,1.253,1.253,1.253,
FKZ,H32,1,1.253,1.253,1.253,
FKZ,H41,1,1.253,1.253,1.253,
FKZ,H42,1,1.253,1.253,1.253,
FKZ,H51,1,1.253,1.253,1.253,
FKZ,H52,1,1.253,1.253,1.253,
FKZ,H61,1,1.253,1.253,1.253,
FKZ,H62,1,1.253,1.253,1.253,
FKZ,H71,1,1.253,1.253,1.253,
FKZ,H72,1,1.253,1.253,1.253,
FKZ,H81,1,0.850,0.850,0.850,
FKZ,H82,1,0.850,0.850,0.850,
FKZ,H83,1,0.850,0.850,0.850,
FME,C,7,174.209,177,175.675,0.985
FME,C1,1,181.559,181.559,181.559,
FME,CA,8,52.892,55.914,54.431,1.061
FME,CB,7,30.308,33.797,32.580,1.229
FME,CE,6,16.259,18.00,17.206,0.659
FME,CG,6,27.61,33.26,31.678,2.073
FME,CN,2,167.11,167.25,167.180,0.099
FME,H,8,8.59,8.748,8.632,0.058
FME,H1,1,8.141,8.141,8.141,
FME,HA,11,4.197,4.70,4.494,0.125
FME,HB1,1,1.913,1.913,1.913,
FME,HB2,11,1.973,2.63,2.156,0.207
FME,HB3,10,1.586,2.63,2.109,0.250
FME,HCN,4,8.14,8.71,8.306,0.271
FME,HE1,6,1.345,2.07,1.936,0.290
FME,HE2,3,1.345,2.07,1.815,0.408
FME,HE3,3,1.345,2.07,1.815,0.408
FME,HG2,11,2.13,2.77,2.562,0.189
FME,HG3,10,1.94,2.676,2.508,0.228
FME,HN,1,8.157,8.157,8.157,
FME,N,9,127.44,130.064,128.503,0.821
FMN,C1R,2,47.300,50.558,48.929,2.304
FMN,C2R,2,69.732,71.815,70.774,1.473
FMN,C3R,2,74.178,76.290,75.234,1.493
FMN,C4R,1,76.042,76.042,76.042,
FMN,C5R,1,67.200,67.200,67.200,
FMN,C6,2,132.795,134.323,133.559,1.080
FMN,C7M,2,20.532,23.022,21.777,1.761
FMN,C8M,2,24.276,24.282,24.279,0.004
FMN,C9,2,119.376,121.082,120.229,1.206
FMN,H1R1,2,4.560,5.063,4.812,0.356
FMN,H1R2,1,4.863,4.863,4.863,
FMN,H2R,2,4.307,4.402,4.355,0.067
FMN,H3,2,11.716,12.360,12.038,0.455
FMN,H3R,2,3.057,3.918,3.488,0.609
FMN,H4R,1,4.090,4.090,4.090,
FMN,H5R1,1,4.166,4.166,4.166,
FMN,H5R2,1,3.833,3.833,3.833,
FMN,H6,2,7.670,7.674,7.672,0.003
FMN,H7M1,2,1.241,2.406,1.824,0.824
FMN,H8M1,2,2.342,2.547,2.445,0.145
FMN,H9,2,7.879,7.919,7.899,0.028
FMN,N3,2,158.158,162.270,160.214,2.908
FMT,C,1,174,174,174.000,
FMT,CA,1,52.7,52.7,52.700,
FMT,CB,1,35.8,35.8,35.800,
FMT,CN,1,163.9,163.9,163.900,
FMT,N,1,131.6,131.6,131.600,
FOH,C,2,175.99,177.56,176.775,1.110
FOH,CA,2,56.17,57.39,56.780,0.863
FOH,CB,2,30.40,30.59,30.495,0.134
FOH,CD,2,48.90,52.50,50.700,2.546
FOH,CG,2,25.04,25.27,25.155,0.163
FOH,H,2,8.41,8.79,8.600,0.269
FOH,HA,2,4.30,4.50,4.400,0.141
FOH,HB2,2,1.73,1.82,1.775,0.064
FOH,HB3,2,1.81,1.90,1.855,0.064
FOH,HD2,2,3.60,3.60,3.600,0.000
FOH,HD3,2,3.60,3.60,3.600,0.000
FOH,HG2,2,1.54,1.76,1.650,0.156
FOH,HG3,2,1.77,1.86,1.815,0.064
FOH,N,2,121.66,124.79,123.225,2.213
FOL,H1',8,6.149,6.395,6.279,0.091
FOL,H2,8,6.393,7.722,7.174,0.417
FOL,H2',8,5.026,5.255,5.157,0.068
FOL,H3',6,4.742,4.852,4.789,0.044
FOL,H8,8,7.617,8.196,7.911,0.231
FTR,H,1,9.240,9.240,9.240,
FTR,HD1,1,6.800,6.800,6.800,
FTR,HE1,1,9.950,9.950,9.950,
FTR,HE3,1,7.200,7.200,7.200,
FTR,HH2,1,6.800,6.800,6.800,
FTR,HZ2,1,7.210,7.210,7.210,
FTR,N,1,123.830,123.830,123.830,
FU,H1',7,5.822,6.013,5.898,0.085
FU,H2',7,4.918,5.418,5.099,0.172
FU,H3,3,13.875,14.148,13.984,0.144
FU,H3',2,4.288,4.613,4.451,0.230
FU,H5,7,5.096,5.676,5.431,0.217
FU,H6,7,7.269,7.882,7.669,0.222
FUC,C1,11,100.791,101.959,101.274,0.328
FUC,C2,11,70.276,70.823,70.431,0.177
FUC,C3,11,71.714,72.298,71.881,0.167
FUC,C4,11,74.301,74.802,74.610,0.125
FUC,C5,11,69.361,69.647,69.479,0.093
FUC,C6,11,17.991,18.250,18.105,0.086
FUC,H1,16,4.35,5.447,5.060,0.245
FUC,H2,16,3.43,3.795,3.682,0.105
FUC,H3,16,3.55,4.161,3.881,0.127
FUC,H4,16,3.64,3.923,3.801,0.062
FUC,H5,16,3.68,5.054,4.651,0.382
FUC,H6,1,1.033,1.033,1.033,
FUC,H61,15,1.029,1.274,1.188,0.075
FUC,H62,15,1.029,1.274,1.188,0.075
FUC,H63,15,1.029,1.274,1.188,0.075
G48,H1,6,11.937,12.877,12.498,0.443
G48,H1',6,5.831,6.023,5.925,0.086
G48,H2',6,4.327,4.477,4.422,0.074
G48,H3',6,4.539,4.628,4.579,0.040
G48,H8,6,7.410,7.650,7.509,0.112
G48,HCA*,6,4.268,4.349,4.298,0.040
G48,HCD*,6,3.473,3.496,3.486,0.011
G6S,H1,1,4.471,4.471,4.471,
G6S,H2,1,3.501,3.501,3.501,
G6S,H3,1,4.127,4.127,4.127,
G6S,H4,1,3.902,3.902,3.902,
G6S,H5,1,3.705,3.705,3.705,
G6S,H6,1,3.992,3.992,3.992,
G6S,H6A,1,4.034,4.034,4.034,
GAL,C1,7,102.831,105.704,104.457,0.840
GAL,C2,7,72.998,78.877,74.905,2.314
GAL,C3,7,74.827,76.265,75.406,0.597
GAL,C4,7,71.019,71.700,71.198,0.267
GAL,C5,7,77.488,77.882,77.658,0.118
GAL,C6,7,63.675,64.454,64.208,0.246
GAL,H1,8,4.438,4.818,4.523,0.131
GAL,H2,8,3.477,3.724,3.540,0.088
GAL,H3,8,3.338,3.842,3.648,0.149
GAL,H4,8,3.735,3.896,3.851,0.054
GAL,H5,8,2.493,3.603,3.450,0.387
GAL,H61,8,3.174,3.740,3.653,0.194
GAL,H62,8,2.829,3.751,3.606,0.314
GDP,HN1,2,12.802,12.959,12.881,0.111
GDP,N1,2,110.544,146.685,128.615,25.556
GDZ,H10A,1,2.313,2.313,2.313,
GDZ,H10B,1,2.313,2.313,2.313,
GDZ,H10C,1,2.313,2.313,2.313,
GDZ,H12,1,7.574,7.574,7.574,
GDZ,H14,1,7.740,7.740,7.740,
GDZ,H17,1,7.299,7.299,7.299,
GDZ,H2,1,7.054,7.054,7.054,
GDZ,H20,1,6.330,6.330,6.330,
GDZ,H23A,1,3.679,3.679,3.679,
GDZ,H23B,1,3.690,3.690,3.690,
GDZ,H24A,1,3.257,3.257,3.257,
GDZ,H24B,1,3.271,3.271,3.271,
GDZ,H26A,1,3.046,3.046,3.046,
GDZ,H26B,1,3.079,3.079,3.079,
GDZ,H27A,1,3.781,3.781,3.781,
GDZ,H27B,1,3.788,3.788,3.788,
GDZ,H29A,1,2.982,2.982,2.982,
GDZ,H29B,1,2.982,2.982,2.982,
GDZ,H29C,1,2.982,2.982,2.982,
GDZ,H7,1,8.509,8.509,8.509,
GDZ,H8,1,7.431,7.431,7.431,
GF0,C8,1,137.602,137.602,137.602,
GF0,H1',1,6.145,6.145,6.145,
GF0,H2',1,5.608,5.608,5.608,
GF0,H3',1,4.872,4.872,4.872,
GF0,H4',1,4.499,4.499,4.499,
GF0,H8,1,7.993,7.993,7.993,
GF0,HN1,1,11.573,11.573,11.573,
GF2,C2,1,93.504,93.504,93.504,
GF2,C8,10,136.368,141.685,138.365,1.873
GF2,F,4,-127.831,-117.053,-119.998,5.228
GF2,H1',14,5.697,6.113,5.965,0.108
GF2,H2',14,5.031,6.297,5.560,0.307
GF2,H3',12,4.506,6.091,5.053,0.497
GF2,H4',12,4.267,4.663,4.493,0.121
GF2,H5',4,4.051,4.469,4.238,0.173
GF2,H5'A,2,4.216,4.451,4.334,0.166
GF2,H8,14,6.821,8.236,7.586,0.411
GF2,HN1,13,10.792,13.204,11.657,0.687
GF2,HN2,1,5.529,5.529,5.529,
GF2,HN2A,1,7.837,7.837,7.837,
GFL,C8,6,137.995,140.991,140.010,1.214
GFL,F,6,-124.314,-116.235,-119.394,2.668
GFL,H1',11,5.827,6.272,6.063,0.180
GFL,H2',11,5.110,5.863,5.450,0.209
GFL,H3',11,4.633,6.257,5.039,0.435
GFL,H4',8,4.034,4.709,4.292,0.214
GFL,H5'1,3,3.995,4.490,4.214,0.252
GFL,H5'2,3,3.890,4.541,4.157,0.341
GFL,H8,11,7.302,8.032,7.704,0.258
GFL,HN1,10,10.793,13.010,11.978,0.652
GGL,HA,4,3.935,4.393,4.236,0.211
GGL,HB2,4,1.845,2.175,1.975,0.157
GGL,HB3,4,2.121,2.228,2.153,0.050
GGL,HG,2,2.222,2.293,2.258,0.050
GGL,HG2,2,2.312,2.456,2.384,0.102
GGL,HG3,2,2.386,2.507,2.447,0.086
GGL,HN,2,7.808,7.893,7.851,0.060
GLC,C1,1,105.0,105.0,105.000,
GLC,C2,1,75.6,75.6,75.600,
GLC,C3,1,76.8,76.8,76.800,
GLC,C4,1,81.1,81.1,81.100,
GLC,C5,1,77.5,77.5,77.500,
GLC,C6,1,62.6,62.6,62.600,
GLC,H1,1,4.53,4.53,4.530,
GLC,H2,1,3.36,3.36,3.360,
GLC,H3,1,3.66,3.66,3.660,
GLC,H4,1,3.67,3.67,3.670,
GLC,H5,1,3.62,3.62,3.620,
GLC,H61,1,3.98,3.98,3.980,
GLC,H62,1,3.82,3.82,3.820,
GLZ,CA,1,46.93,46.93,46.930,
GLZ,H,1,8.06,8.06,8.060,
GLZ,N,1,114.56,114.56,114.560,
GM1,H,1,8.12,8.12,8.120,
GM1,H21,1,3.62,3.62,3.620,
GM1,H22,1,3.69,3.69,3.690,
GM1,HA2,1,3.95,3.95,3.950,
GM1,HA3,1,3.81,3.81,3.810,
GM1,HN11,1,7.77,7.77,7.770,
GM1,NH21,1,7.26,7.26,7.260,
GM1,NH22,1,6.86,6.86,6.860,
GMP,H1',1,5.511,5.511,5.511,
GMP,H8,1,8.141,8.141,8.141,
GND,HA,1,4.144,4.144,4.144,
GND,HB1,1,1.62,1.62,1.620,
GND,HB2,1,2.204,2.204,2.204,
GND,HG1,1,2.212,2.212,2.212,
GND,HG2,1,2.092,2.092,2.092,
GND,HH21,1,7.472,7.472,7.472,
GND,HH22,1,6.773,6.773,6.773,
GND,NH1,1,7.314,7.314,7.314,
GNG,H1',1,6.048,6.048,6.048,
GNG,H2'1,1,2.605,2.605,2.605,
GNG,H2'2,1,2.585,2.585,2.585,
GNG,H3',1,4.808,4.808,4.808,
GNG,H4',1,4.185,4.185,4.185,
GNG,H5'1,1,3.740,3.740,3.740,
GNG,H5'2,1,3.727,3.727,3.727,
GNG,H8,1,7.802,7.802,7.802,
GNP,H1,4,12.985,13.068,13.044,0.040
GNP,H1',4,5.943,6.106,6.025,0.067
GNP,H2',2,4.582,4.904,4.743,0.228
GNP,H21,4,6.277,6.351,6.299,0.035
GNP,H22,4,6.277,6.351,6.299,0.035
GNP,H3',2,4.349,4.722,4.536,0.264
GNP,H5'2,1,1.482,1.482,1.482,
GNP,H8,4,7.871,8.091,7.973,0.097
GNP,HN1,2,10.733,13.249,11.991,1.779
GNP,HN21,1,12.781,12.781,12.781,
GNP,HN22,1,12.781,12.781,12.781,
GPR,HA,2,4.546,4.568,4.557,0.016
GPR,HB2,1,2.697,2.697,2.697,
GPR,HB3,1,2.079,2.079,2.079,
GPR,HD2,2,3.882,3.969,3.926,0.062
GPR,HD3,2,3.499,3.603,3.551,0.074
GPR,HG11,1,2.035,2.035,2.035,
GPR,HG12,1,2.035,2.035,2.035,
GPR,QB,1,2.495,2.495,2.495,
GS,H1',4,5.726,6.12,5.910,0.171
GS,H2',4,2.332,2.599,2.493,0.117
GS,H3',4,4.943,5.022,4.981,0.036
GS,H4',2,4.405,4.436,4.421,0.022
GS,H5',2,4.236,4.252,4.244,0.011
GS,H8,3,7.943,8.017,7.968,0.043
GS,HN1,2,13.02,13.263,13.142,0.172
GS,P,4,4.508,5.239,4.894,0.366
GSH,HA1,1,3.32,3.32,3.320,
GSH,HA2,1,5.00,5.00,5.000,
GSH,HA31,1,3.60,3.60,3.600,
GSH,HA32,1,4.00,4.00,4.000,
GSH,HB11,1,1.90,1.90,1.900,
GSH,HB12,1,0.65,0.65,0.650,
GSH,HB21,1,2.97,2.97,2.970,
GSH,HB22,1,4.04,4.04,4.040,
GSH,HG11,1,2.67,2.67,2.670,
GSH,HG12,1,2.35,2.35,2.350,
GSH,HN2,1,9.58,9.58,9.580,
GSH,HN3,1,8.65,8.65,8.650,
GTP,C1',3,90.508,91.289,90.965,0.407
GTP,C2',3,75.699,76.718,76.097,0.545
GTP,C3',3,69.815,75.499,72.554,2.848
GTP,C4',3,81.444,84.399,83.392,1.688
GTP,C5',3,64.182,67.699,66.325,1.880
GTP,C8,3,138.404,139.599,139.079,0.613
GTP,H1,2,12.818,12.905,12.862,0.062
GTP,H1',4,3.871,5.957,5.284,0.954
GTP,H2',3,4.042,4.984,4.583,0.486
GTP,H21,2,9.171,9.288,9.230,0.083
GTP,H22,2,8.053,8.366,8.210,0.221
GTP,H3',4,4.269,4.786,4.573,0.224
GTP,H4',4,3.642,4.473,4.189,0.375
GTP,H5,1,4.214,4.214,4.214,
GTP,H5',3,3.884,4.612,4.256,0.364
GTP,H5'',3,3.650,4.342,4.058,0.362
GTP,H8,4,7.536,8.143,7.826,0.312
GTP,HN1,1,10.767,10.767,10.767,
GTP,N1,2,146.670,147.285,146.978,0.435
GTP,N2,2,80.808,82.361,81.585,1.098
GTP,N3,2,163.551,163.688,163.620,0.097
GTP,N7,2,232.070,232.174,232.122,0.074
GTP,N9,2,169.668,172.234,170.951,1.814
GXL,C1,2,101.240,102.326,101.783,0.768
GXL,C2,2,70.924,70.990,70.957,0.047
GXL,C3,2,71.588,71.840,71.714,0.178
GXL,C4,1,72.194,72.194,72.194,
GXL,C5,2,72.918,73.234,73.076,0.223
GXL,C6,2,63.005,64.315,63.660,0.926
GXL,H1,2,5.030,5.340,5.185,0.219
GXL,H2,2,3.789,3.833,3.811,0.031
GXL,H3,2,3.676,3.972,3.824,0.209
GXL,H4,2,3.813,3.859,3.836,0.033
GXL,H5,2,4.212,4.240,4.226,0.020
GXL,H6C1,2,3.674,3.771,3.723,0.069
GXL,H6C2,2,3.674,3.681,3.678,0.005
GYC,CA,2,48.518,49.362,48.940,0.597
GYC,CB,2,24.75,25.808,25.279,0.748
GYC,H,2,7.321,7.436,7.379,0.081
GYC,N,2,113.537,115.672,114.605,1.510
H00,HA1,1,2.53,2.53,2.530,
H00,HA2,1,2.74,2.74,2.740,
H00,HB1,1,1.95,1.95,1.950,
H00,HB2,1,2.08,2.08,2.080,
H00,HG1,1,2.27,2.27,2.270,
H00,HG2,1,2.41,2.41,2.410,
H2U,C1',1,86.007,86.007,86.007,
H2U,C2',1,69.138,69.138,69.138,
H2U,C3',1,74.946,74.946,74.946,
H2U,C4',1,81.380,81.380,81.380,
H2U,C5',1,65.310,65.310,65.310,
H2U,H1',1,5.587,5.587,5.587,
H2U,H2',1,3.978,3.978,3.978,
H2U,H3',1,4.265,4.265,4.265,
H2U,H4',1,4.021,4.021,4.021,
H2U,H5',1,3.758,3.758,3.758,
H2U,H5'',1,3.685,3.685,3.685,
H2U,H51,1,2.450,2.450,2.450,
H2U,H61,1,3.233,3.233,3.233,
HAL,CA,2,53.60,53.60,53.600,0.000
HAL,HA,2,6.30,6.30,6.300,0.000
HCS,H,2,7.610,8.295,7.953,0.484
HCS,HB2,1,1.912,1.912,1.912,
HCS,HB3,1,1.963,1.963,1.963,
HCS,HCA,2,4.400,4.404,4.402,0.003
HCS,HG2,1,2.485,2.485,2.485,
HCS,HG3,1,2.642,2.642,2.642,
HE1,CA,1,58.668,58.668,58.668,
HE1,CB,1,32.486,32.486,32.486,
HE1,CD2,1,118.940,118.940,118.940,
HE1,CE1,1,137.120,137.120,137.120,
HE1,H,1,9.113,9.113,9.113,
HE1,HA,1,6.064,6.064,6.064,
HE1,HB2,1,3.713,3.713,3.713,
HE1,HB3,1,3.457,3.457,3.457,
HE1,HD2,1,7.619,7.619,7.619,
HE1,HE1,1,7.373,7.373,7.373,
HE1,N,1,118.187,118.187,118.187,
HEB,HAA1,2,3.52,14.24,8.880,7.580
HEB,HAA2,2,2.63,5.63,4.130,2.121
HEB,HAB,2,3.93,6.65,5.290,1.923
HEB,HAB2,1,2.75,2.75,2.750,
HEB,HAC,3,6.67,8.02,7.443,0.696
HEB,HAD1,2,8.40,13.05,10.725,3.288
HEB,HAD2,2,7.75,12.27,10.010,3.196
HEB,HBA1,2,-0.11,1.11,0.500,0.863
HEB,HBA2,2,-0.57,0.20,-0.185,0.544
HEB,HBB1,3,0.82,3.44,2.167,1.312
HEB,HBB2,3,0.82,3.44,2.167,1.312
HEB,HBB3,3,0.82,3.44,2.167,1.312
HEB,HBC1,3,-2.04,6.06,1.710,4.083
HEB,HBC2,3,-2.44,5.58,1.773,4.025
HEB,HBD1,2,0.46,1.38,0.920,0.651
HEB,HBD2,2,0.75,1.12,0.935,0.262
HEB,HHA,3,-2.30,9.57,2.417,6.299
HEB,HHB,3,0.61,9.37,4.063,4.665
HEB,HHC,3,-3.22,9.11,2.317,6.260
HEB,HHD,3,-1.26,9.06,2.957,5.413
HEB,HMA1,3,3.18,13.27,8.797,5.141
HEB,HMA2,3,3.18,13.27,8.797,5.141
HEB,HMA3,3,3.18,13.27,8.797,5.141
HEB,HMB1,3,3.22,11.00,7.730,4.036
HEB,HMB2,3,3.22,11.00,7.730,4.036
HEB,HMB3,3,3.22,11.00,7.730,4.036
HEB,HMC1,3,3.40,15.70,10.383,6.317
HEB,HMC2,3,3.40,15.70,10.383,6.317
HEB,HMC3,3,3.40,15.70,10.383,6.317
HEB,HMD1,3,2.67,19.41,11.730,8.455
HEB,HMD2,3,2.67,19.41,11.730,8.455
HEB,HMD3,3,2.67,19.41,11.730,8.455
HEC,1HAA,5,0.823,12.378,5.358,4.240
HEC,1HAD,6,1.442,17.92,6.457,5.909
HEC,1HBA,5,-1.215,4.08,1.219,2.340
HEC,1HBB,2,5.36,5.36,5.360,0.000
HEC,1HBC,2,6.38,6.40,6.390,0.014
HEC,1HBD,6,-1.446,4.68,1.273,2.305
HEC,1HMA,4,3.36,44.49,23.350,23.102
HEC,1HMB,4,3.52,9.87,6.425,3.383
HEC,1HMC,4,4.32,38.22,20.820,19.056
HEC,1HMD,4,3.38,15.79,9.190,6.734
HEC,2HAA,4,3.119,6.802,4.105,1.800
HEC,2HAD,4,1.765,17.683,7.466,7.071
HEC,2HBA,4,-1.383,3.79,0.387,2.381
HEC,2HBB,2,5.36,5.36,5.360,0.000
HEC,2HBC,2,6.38,6.40,6.390,0.014
HEC,2HBD,3,-1.147,0.108,-0.711,0.710
HEC,2HMA,4,3.36,44.49,23.350,23.102
HEC,2HMB,4,3.52,9.87,6.425,3.383
HEC,2HMC,4,4.32,38.22,20.820,19.056
HEC,2HMD,4,3.38,15.79,9.190,6.734
HEC,3HBC,2,6.38,6.40,6.390,0.014
HEC,3HMA,4,3.36,44.49,23.350,23.102
HEC,3HMB,4,3.52,9.87,6.425,3.383
HEC,3HMC,4,4.32,38.22,20.820,19.056
HEC,3HMD,4,3.38,15.79,9.190,6.734
HEC,CAA,2,-21.7,24.628,1.464,32.759
HEC,CAB,2,5.3,35.982,20.641,21.695
HEC,CAC,1,39.69,39.69,39.690,
HEC,CAD,2,-4.0,24.576,10.288,20.206
HEC,CBA,2,44.845,111.8,78.323,47.344
HEC,CBB,2,26.263,41.2,33.732,10.562
HEC,CBC,2,22.395,90.1,56.248,47.875
HEC,CBD,2,44.055,82.0,63.028,26.831
HEC,CHA,1,98.044,98.044,98.044,
HEC,CHB,1,98.033,98.033,98.033,
HEC,CHC,1,99.366,99.366,99.366,
HEC,CHD,1,99.285,99.285,99.285,
HEC,CMA,1,13.043,13.043,13.043,
HEC,CMB,2,-29.6,15.285,-7.158,31.738
HEC,CMC,1,15.108,15.108,15.108,
HEC,CMD,2,-32.8,15.055,-8.873,33.839
HEC,HA,1,10.298,10.298,10.298,
HEC,HA62,1,4.152,4.152,4.152,
HEC,HA63,1,4.446,4.446,4.446,
HEC,HA72,1,2.693,2.693,2.693,
HEC,HA73,1,4.114,4.114,4.114,
HEC,HAA1,32,-2.66,19.883,6.617,5.727
HEC,HAA2,32,-3.280,14.49,5.707,3.595
HEC,HAB,39,-2.546,6.86,1.817,3.080
HEC,HAC,39,-4.323,6.55,1.761,3.401
HEC,HAD1,29,-3.96,17.774,4.579,6.382
HEC,HAD2,29,-4.07,19.916,3.657,6.564
HEC,HAM,2,9.29,10.097,9.694,0.571
HEC,HB2,1,9.61,9.61,9.610,
HEC,HB3,1,11.494,11.494,11.494,
HEC,HB62,1,2.887,2.887,2.887,
HEC,HB63,1,3.241,3.241,3.241,
HEC,HB72,1,2.014,2.014,2.014,
HEC,HB73,1,3.119,3.119,3.119,
HEC,HBA1,31,-3.61,3.46,1.245,1.960
HEC,HBA2,31,-3.77,3.62,1.073,2.071
HEC,HBB,24,-3.68,2.95,0.045,1.997
HEC,HBB1,14,-2.552,2.048,0.091,1.933
HEC,HBB2,10,-2.552,2.034,-0.152,1.960
HEC,HBB3,7,-2.552,2.034,-0.431,1.807
HEC,HBC,23,-2.36,2.98,0.521,1.776
HEC,HBC1,13,-3.987,2.934,0.715,2.094
HEC,HBC2,9,-1.855,2.934,1.134,1.659
HEC,HBC3,9,-1.855,2.934,1.134,1.659
HEC,HBD1,29,-1.753,4.239,1.286,1.707
HEC,HBD2,29,-1.27,3.947,0.981,1.656
HEC,HBM,2,9.417,9.62,9.519,0.144
HEC,HDM,2,9.02,9.334,9.177,0.222
HEC,HGM,2,9.588,9.59,9.589,0.001
HEC,HHA,37,-1.675,12.46,6.407,4.722
HEC,HHB,37,-3.60,10.33,3.664,5.063
HEC,HHC,38,-3.913,12.59,6.265,5.303
HEC,HHD,41,-6.37,11.378,4.473,5.614
HEC,HM1,1,3.638,3.638,3.638,
HEC,HM3,5,4.074,23.08,11.293,7.040
HEC,HM5,1,3.197,3.197,3.197,
HEC,HM8,1,3.024,3.024,3.024,
HEC,HMA,24,-3.93,32.43,13.881,13.693
HEC,HMA1,15,-0.841,36.405,16.910,13.131
HEC,HMA2,11,-0.841,36.405,19.904,13.680
HEC,HMA3,11,-0.841,36.405,19.904,13.680
HEC,HMB,24,3.18,19.16,10.329,6.411
HEC,HMB1,15,3.497,18.54,11.196,5.651
HEC,HMB2,11,3.497,18.54,10.901,5.776
HEC,HMB3,11,3.497,18.54,10.901,5.776
HEC,HMC,19,3.02,32.27,9.817,7.977
HEC,HMC1,15,3.27,33.734,16.468,10.481
HEC,HMC2,11,3.857,33.734,18.582,11.157
HEC,HMC3,11,3.857,33.734,18.582,11.157
HEC,HMD,24,3.07,20.95,11.247,7.161
HEC,HMD1,15,3.22,23.24,13.802,7.372
HEC,HMD2,11,3.32,23.24,13.877,7.675
HEC,HMD3,11,3.32,23.24,13.877,7.675
HEC,HP61,1,3.46,3.46,3.460,
HEC,HP62,1,4.17,4.17,4.170,
HEC,HP64,1,3.93,3.93,3.930,
HEC,HP71,1,4.14,4.14,4.140,
HEC,HP72,1,3.63,3.63,3.630,
HEC,HT2,1,1.141,1.141,1.141,
HEC,HT2A,2,5.20,5.479,5.340,0.197
HEC,HT4,1,2.500,2.500,2.500,
HEC,HT4A,2,6.195,6.36,6.278,0.117
HEC,QM1,1,3.50,3.50,3.500,
HEC,QM3,1,3.84,3.84,3.840,
HEC,QM5,1,3.59,3.59,3.590,
HEC,QM8,1,2.16,2.16,2.160,
HEC,QT2,1,1.44,1.44,1.440,
HEC,QT4,1,2.58,2.58,2.580,
HEC_ox,1HAA,1,8.11,8.11,8.110,
HEC_ox,1HAD,1,9.61,9.61,9.610,
HEC_ox,1HBA,1,-0.09,-0.09,-0.090,
HEC_ox,1HBC,1,0.21,0.21,0.210,
HEC_ox,1HBD,1,-2.16,-2.16,-2.160,
HEC_ox,1HMA,1,14.56,14.56,14.560,
HEC_ox,1HMB,1,8.62,8.62,8.620,
HEC_ox,1HMC,1,17.57,17.57,17.570,
HEC_ox,1HMD,1,12.80,12.80,12.800,
HEC_ox,2HAA,1,4.63,4.63,4.630,
HEC_ox,2HAD,1,3.83,3.83,3.830,
HEC_ox,2HBA,1,-0.40,-0.40,-0.400,
HEC_ox,2HBC,1,0.21,0.21,0.210,
HEC_ox,2HBD,1,0.62,0.62,0.620,
HEC_ox,2HMA,1,14.56,14.56,14.560,
HEC_ox,2HMB,1,8.62,8.62,8.620,
HEC_ox,2HMC,1,17.57,17.57,17.570,
HEC_ox,2HMD,1,12.80,12.80,12.800,
HEC_ox,3HBC,1,0.21,0.21,0.210,
HEC_ox,3HMA,1,14.56,14.56,14.560,
HEC_ox,3HMB,1,8.62,8.62,8.620,
HEC_ox,3HMC,1,17.57,17.57,17.570,
HEC_ox,3HMD,1,12.80,12.80,12.800,
HEC_ox,HAB,1,-2.27,-2.27,-2.270,
HEC_ox,HAC,1,-0.42,-0.42,-0.420,
HEC_ox,HHA,1,1.57,1.57,1.570,
HEC_ox,HHB,1,-2.38,-2.38,-2.380,
HEC_ox,HHC,1,2.43,2.43,2.430,
HEM,1HAD,1,3.58,3.58,3.580,
HEM,1HBB,1,2.47,2.47,2.470,
HEM,1HBC,1,2.44,2.44,2.440,
HEM,1HMA,1,2.93,2.93,2.930,
HEM,1HMB,1,3.70,3.70,3.700,
HEM,1HMC,1,3.64,3.64,3.640,
HEM,1HMD,1,3.39,3.39,3.390,
HEM,2HAD,1,3.58,3.58,3.580,
HEM,2HBB,1,2.47,2.47,2.470,
HEM,2HBC,1,2.44,2.44,2.440,
HEM,2HMA,1,2.93,2.93,2.930,
HEM,2HMB,1,3.70,3.70,3.700,
HEM,2HMC,1,3.64,3.64,3.640,
HEM,2HMD,1,3.39,3.39,3.390,
HEM,3HBC,1,2.44,2.44,2.440,
HEM,3HMA,1,2.93,2.93,2.930,
HEM,3HMB,1,3.70,3.70,3.700,
HEM,3HMC,1,3.64,3.64,3.640,
HEM,3HMD,1,3.39,3.39,3.390,
HEM,CAA,6,-29.6,24.9,-2.639,22.815
HEM,CAB,5,-20.944,36.2,10.523,25.438
HEM,CAC,4,-8.667,39.0,16.475,25.881
HEM,CAD,6,-60.222,25.7,-6.238,32.160
HEM,CBA,6,24.7,123.2,73.409,35.690
HEM,CBB,13,0.480,70.038,22.506,26.658
HEM,CBC,13,0.406,101.9,21.780,31.081
HEM,CBD,5,25.8,169.541,84.324,55.358
HEM,CHA,4,-9.853,98.1,56.344,51.773
HEM,CHB,5,20.944,99.8,58.767,38.370
HEM,CHC,3,45.397,99.8,81.366,31.153
HEM,CHD,4,21.087,100.2,61.816,42.938
HEM,CMA,8,-39.300,12.4,-5.568,20.925
HEM,CMB,13,-39.053,16.1,-4.431,18.054
HEM,CMC,12,-39.304,15.1,-1.980,15.958
HEM,CMD,13,-55.990,14.6,-7.050,21.712
HEM,H,4,6.137,7.978,7.016,0.774
HEM,H2D,1,12.38,12.38,12.380,
HEM,HA,4,3.972,4.540,4.337,0.250
HEM,HA6,1,4.389,4.389,4.389,
HEM,HA62,6,0.988,14.678,4.979,4.868
HEM,HA63,6,4.130,22.341,8.038,7.267
HEM,HA71,1,4.062,4.062,4.062,
HEM,HA72,7,-1.354,4.444,3.073,2.008
HEM,HA73,6,3.351,5.233,4.190,0.634
HEM,HAA,12,2.615,9.674,4.375,1.796
HEM,HAA1,15,0.00,13.58,5.308,3.920
HEM,HAA2,16,-1.02,19.14,4.974,5.218
HEM,HAAA,12,3.11,11.892,4.576,2.322
HEM,HAB,30,-1.31,16.82,6.989,3.533
HEM,HAB1,1,5.992,5.992,5.992,
HEM,HAC,30,2.17,8.290,6.309,1.135
HEM,HAC1,1,6.210,6.210,6.210,
HEM,HAD,12,2.099,4.57,3.590,0.809
HEM,HAD1,16,-1.33,16.06,4.773,3.820
HEM,HAD2,16,-3.28,12.57,4.334,3.177
HEM,HADA,12,3.555,9.966,4.562,1.727
HEM,HAM,9,-4.838,10.583,7.923,4.811
HEM,HAP61,1,4.31,4.31,4.310,
HEM,HAP62,1,3.85,3.85,3.850,
HEM,HAP71,1,4.39,4.39,4.390,
HEM,HAP72,1,4.49,4.49,4.490,
HEM,HB2,4,1.452,3.718,2.486,0.934
HEM,HB3,3,1.223,3.124,2.015,0.990
HEM,HB62,6,-2.747,3.119,0.635,2.490
HEM,HB63,7,-1.089,3.723,1.664,2.151
HEM,HB64,1,2.580,2.580,2.580,
HEM,HB72,6,-2.307,3.242,0.985,2.373
HEM,HB73,6,-1.982,3.474,1.146,2.108
HEM,HB74,1,3.001,3.001,3.001,
HEM,HBA,12,0.607,4.04,2.983,0.911
HEM,HBA1,15,-0.78,3.670,2.131,1.378
HEM,HBA2,13,-1.22,3.664,1.842,1.720
HEM,HBAA,10,0.369,4.395,2.933,1.014
HEM,HBB,19,-4.54,5.380,1.200,2.090
HEM,HBB1,10,-5.31,5.799,1.356,3.801
HEM,HBB2,9,-5.8,5.595,1.649,4.042
HEM,HBB3,1,1.908,1.908,1.908,
HEM,HBBA,10,-5.15,5.080,1.380,2.606
HEM,HBBB,3,1.935,2.681,2.267,0.380
HEM,HBC,19,-1.67,6.030,2.043,1.550
HEM,HBC1,10,-1.67,5.990,2.960,2.411
HEM,HBC2,9,-1.96,6.142,2.818,2.623
HEM,HBC3,1,2.446,2.446,2.446,
HEM,HBCA,10,-2.14,5.920,1.908,2.002
HEM,HBCB,3,1.339,2.804,1.870,0.811
HEM,HBD,12,-0.886,3.51,2.650,1.153
HEM,HBD1,10,1.26,3.394,2.737,0.586
HEM,HBD2,11,0.84,3.830,3.021,0.840
HEM,HBDA,12,2.551,4.473,3.380,0.557
HEM,HBM,10,-1.994,9.840,7.355,4.378
HEM,HBP63,1,3.07,3.07,3.070,
HEM,HBP64,1,2.82,2.82,2.820,
HEM,HBP73,1,3.17,3.17,3.170,
HEM,HBP74,1,2.94,2.94,2.940,
HEM,HDM,12,-1.039,10.232,7.455,3.828
HEM,HGM,10,-1.533,9.58,7.991,3.524
HEM,HHA,26,9.17,9.90,9.429,0.171
HEM,HHA1,1,9.277,9.277,9.277,
HEM,HHB,29,-6.06,10.208,8.021,4.487
HEM,HHB1,1,9.178,9.178,9.178,
HEM,HHC,27,1.61,10.530,9.181,1.584
HEM,HHC1,1,9.776,9.776,9.776,
HEM,HHD,26,0.09,9.86,8.952,1.882
HEM,HHD1,1,9.311,9.311,9.311,
HEM,HM1,1,3.403,3.403,3.403,
HEM,HM3,1,3.735,3.735,3.735,
HEM,HM5,1,3.342,3.342,3.342,
HEM,HM8,1,2.057,2.057,2.057,
HEM,HMA,20,2.10,35.30,7.787,10.403
HEM,HMA1,12,3.305,35.74,11.872,11.247
HEM,HMA2,7,3.305,9.7,4.880,2.491
HEM,HMA3,7,3.305,9.7,4.880,2.491
HEM,HMAA,8,3.013,25.918,6.175,7.983
HEM,HMAB,8,3.013,25.918,6.175,7.983
HEM,HMB,20,2.59,15.615,5.498,4.145
HEM,HMB1,9,3.523,16.52,8.736,5.269
HEM,HMB2,6,3.523,16.52,7.475,5.806
HEM,HMB3,6,3.523,16.52,7.475,5.806
HEM,HMBA,8,3.167,15.615,5.205,4.227
HEM,HMBB,8,3.167,15.615,5.205,4.227
HEM,HMC,20,2.816,34.10,7.835,9.857
HEM,HMC1,12,2.978,32.44,9.204,8.468
HEM,HMC2,7,2.978,14.39,5.627,4.159
HEM,HMC3,7,2.978,14.39,5.627,4.159
HEM,HMCA,8,2.816,22.968,5.942,6.895
HEM,HMCB,8,2.816,22.968,5.942,6.895
HEM,HMD,20,2.735,21.27,6.148,5.893
HEM,HMD1,12,2.507,24.27,10.865,8.791
HEM,HMD2,7,2.507,24.27,8.056,8.608
HEM,HMD3,7,2.507,24.27,8.056,8.608
HEM,HMDA,8,2.735,18.545,5.141,5.428
HEM,HMDB,8,2.735,18.545,5.141,5.428
HEM,HT2,1,1.380,1.380,1.380,
HEM,HT2A,10,-1.372,7.292,4.776,2.900
HEM,HT4,1,2.461,2.461,2.461,
HEM,HT4A,10,-4.161,6.551,4.655,3.680
HEM,QM1,7,3.30,19.945,8.489,6.595
HEM,QM3,7,3.029,16.262,6.821,4.998
HEM,QM5,7,2.825,25.009,9.843,8.743
HEM,QM8,11,0.952,16.264,5.400,5.217
HEM,QT2,7,-1.921,2.475,1.418,1.497
HEM,QT4,6,-3.982,2.916,0.524,2.612
HEM_ox,1HAA,9,1.4,15.72,5.817,6.481
HEM_ox,1HAD,9,-2.606,23.526,9.459,8.783
HEM_ox,1HBA,9,-2.752,2.884,-0.131,1.826
HEM_ox,1HBB,9,-4.68,0.991,-2.281,1.951
HEM_ox,1HBC,9,-3.619,1.912,-0.640,1.747
HEM_ox,1HBD,9,-0.917,1.590,0.282,0.803
HEM_ox,1HMA,9,-3.249,29.75,15.391,11.405
HEM_ox,1HMB,9,4.635,23.296,15.677,5.303
HEM_ox,1HMC,9,4.255,29.18,11.834,8.283
HEM_ox,1HMD,9,6.596,22.259,18.785,4.961
HEM_ox,2HAA,9,-2.753,19.315,4.887,6.188
HEM_ox,2HAD,9,-3.244,16.176,6.104,6.011
HEM_ox,2HBA,9,-116,4.900,-12.085,39.020
HEM_ox,2HBB,5,-4.39,-0.71,-3.016,1.472
HEM_ox,2HBC,5,0.04,1.78,0.682,0.717
HEM_ox,2HBD,9,-2.03,0.531,-0.947,1.082
HEM_ox,2HMA,5,8.75,29.75,13.096,9.311
HEM_ox,2HMB,5,14.25,16.35,15.464,0.836
HEM_ox,2HMC,5,8.12,29.18,12.580,9.284
HEM_ox,2HMD,5,20.11,22.01,21.132,0.798
HEM_ox,3HBB,1,-0.71,-0.71,-0.710,
HEM_ox,3HBC,1,1.78,1.78,1.780,
HEM_ox,3HMA,5,8.75,29.75,13.096,9.311
HEM_ox,3HMB,5,14.25,16.35,15.464,0.836
HEM_ox,3HMC,5,8.12,29.18,12.580,9.284
HEM_ox,3HMD,5,20.11,22.01,21.132,0.798
HEM_ox,HAB,9,-1.642,14.26,6.315,7.226
HEM_ox,HAC,8,-4.154,7.3,2.926,4.256
HEM_ox,HHA,9,-0.098,11.572,4.792,4.134
HEM_ox,HHB,8,-3.323,7.716,1.471,3.083
HEM_ox,HHC,9,-0.815,12.820,4.232,4.926
HEM_ox,HHD,9,-8.073,10.613,1.373,5.434
HEM_red,HA62,4,2.992,4.158,3.657,0.541
HEM_red,HA63,4,4.399,4.747,4.541,0.152
HEM_red,HA72,4,2.711,4.404,3.834,0.776
HEM_red,HA73,4,3.710,4.091,3.902,0.184
HEM_red,HAM,4,8.987,9.777,9.326,0.359
HEM_red,HB62,3,3.268,3.309,3.291,0.021
HEM_red,HB63,4,1.047,4.190,3.087,1.455
HEM_red,HB72,3,2.375,3.338,3.005,0.546
HEM_red,HB73,3,2.933,3.146,3.034,0.107
HEM_red,HBM,4,8.620,9.544,9.068,0.466
HEM_red,HDM,4,7.329,9.505,8.462,1.093
HEM_red,HGM,4,9.436,9.731,9.635,0.135
HEM_red,HT2A,4,5.694,6.523,5.995,0.372
HEM_red,HT4A,4,5.199,6.464,5.939,0.582
HEM_red,QM1,4,1.807,3.606,2.914,0.859
HEM_red,QM3,4,2.798,3.986,3.394,0.531
HEM_red,QM5,4,3.401,3.548,3.465,0.062
HEM_red,QM8,4,1.130,3.254,2.346,1.042
HEM_red,QT2,4,1.852,2.692,2.313,0.405
HEM_red,QT4,4,-1.030,2.480,0.968,1.787
HHK,H,1,7.911,7.911,7.911,
HHK,HA,1,4.269,4.269,4.269,
HHK,HB2,1,1.454,1.454,1.454,
HHK,HD1,1,1.342,1.342,1.342,
HHK,HE1,1,2.994,2.994,2.994,
HHK,HG2,1,1.191,1.191,1.191,
HHK,HH1,1,7.611,7.611,7.611,
HHK,HT1,1,3.032,3.032,3.032,
HHK,HZ1,1,1.161,1.161,1.161,
HIA,H,1,8.41,8.41,8.410,
HIA,HA,1,4.56,4.56,4.560,
HIA,HB2,1,3.25,3.25,3.250,
HIA,HB3,1,3.15,3.15,3.150,
HIA,HD2,1,8.64,8.64,8.640,
HIA,HE1,1,7.37,7.37,7.370,
HIE,CA,1,60.119,60.119,60.119,
HIE,CB,1,29.903,29.903,29.903,
HIE,H,1,8.417,8.417,8.417,
HIE,HA,1,4.126,4.126,4.126,
HIE,HB2,1,3.264,3.264,3.264,
HIE,HB3,1,3.113,3.113,3.113,
HIE,N,1,117.457,117.457,117.457,
HIX,CA,1,55.924,55.924,55.924,
HIX,CB,2,29.077,29.349,29.213,0.192
HIX,H,2,8.194,8.694,8.444,0.354
HIX,HA,3,4.616,5.097,4.794,0.264
HIX,HB1,2,3.145,3.159,3.152,0.010
HIX,HB2,3,3.374,3.425,3.398,0.026
HIX,HB3,1,3.172,3.172,3.172,
HIX,HD2,3,7.684,8.153,7.977,0.255
HMR,H,2,6.835,7.813,7.324,0.692
HMR,HA,2,4.064,4.104,4.084,0.028
HMR,HB2,2,1.498,1.572,1.535,0.052
HMR,HB3,1,1.622,1.622,1.622,
HMR,HC1,2,2.317,2.334,2.326,0.012
HMR,HC2,1,2.433,2.433,2.433,
HMR,HD2,2,3.074,3.122,3.098,0.034
HMR,HG2,2,1.549,1.685,1.617,0.096
HNE,H1,3,5.540,5.739,5.616,0.108
HNE,H2,2,1.416,2.130,1.773,0.505
HNE,H3,3,2.284,3.474,2.780,0.619
HNE,H4,3,2.888,4.323,3.608,0.718
HNE,H5C1,2,0.947,1.297,1.122,0.247
HNE,H5C2,2,1.164,1.637,1.401,0.334
HNE,H6C1,2,1.212,1.477,1.345,0.187
HNE,H6C2,2,1.212,1.477,1.345,0.187
HNE,H7C1,2,1.046,1.414,1.230,0.260
HNE,H7C2,2,1.046,1.414,1.230,0.260
HNE,H8C1,1,1.443,1.443,1.443,
HNE,H8C2,1,1.443,1.443,1.443,
HNE,H9C1,1,1.001,1.001,1.001,
HNE,H9C2,1,1.001,1.001,1.001,
HNE,H9C3,1,1.001,1.001,1.001,
HOP,C,1,179.193,179.193,179.193,
HOP,CA,1,69.006,69.006,69.006,
HOP,CB,1,21.217,21.217,21.217,
HOP,HA,1,4.257,4.257,4.257,
HOP,HB1,1,1.327,1.327,1.327,
HP6,H201,2,3.47,3.55,3.510,0.057
HP6,H202,2,3.62,3.88,3.750,0.184
HP6,H211,2,1.18,1.23,1.205,0.035
HP6,H212,2,1.18,1.42,1.300,0.170
HP6,H221,2,0.86,1.09,0.975,0.163
HP6,H222,2,0.86,1.09,0.975,0.163
HP6,H231,2,0.95,1.01,0.980,0.042
HP6,H232,2,0.95,1.01,0.980,0.042
HSD,C,1,177.337,177.337,177.337,
HSD,CA,1,77.285,77.285,77.285,
HSD,H,2,10.857,11.7,11.279,0.596
HSD,HA2,1,4.5,4.5,4.500,
HSD,HA3,1,4.5,4.5,4.500,
HSD,N,1,119.043,119.043,119.043,
HSE,H,1,12.4,12.4,12.400,
HSE,HA,2,5.0,5.4,5.200,0.283
HSE,HB2,1,4.3,4.3,4.300,
HSE,HB3,1,4.3,4.3,4.300,
HSE,HD2,1,11.5,11.5,11.500,
HSE,HE1,2,9.9,12.3,11.100,1.697
HSE,HE2,2,12.8,13.5,13.150,0.495
HSL,CB,1,30.146,30.146,30.146,
HSL,H,2,8.219,8.722,8.471,0.356
HSL,HA,2,4.440,4.532,4.486,0.065
HSL,HB1,1,4.227,4.227,4.227,
HSL,HB2,2,2.390,4.227,3.309,1.299
HSL,HB3,1,2.571,2.571,2.571,
HSL,HG2,2,2.460,3.841,3.151,0.977
HSL,HG3,2,2.207,3.841,3.024,1.155
HSL,N,1,112.928,112.928,112.928,
HTS,H3,1,7.514,7.514,7.514,
HTS,H4,1,6.817,6.817,6.817,
HTS,H5,1,7.162,7.162,7.162,
HTS,H6,1,6.937,6.937,6.937,
HYP,C,6,173.610,177.173,175.679,1.548
HYP,C2,1,63.289,63.289,63.289,
HYP,C4,1,39.151,39.151,39.151,
HYP,CA,40,58.72,72.5243,62.659,2.559
HYP,CB,30,30.115,41.92,38.809,2.025
HYP,CD,35,50.5803,59.88,57.856,1.476
HYP,CG,29,27.4035,72.875,67.687,13.371
HYP,HA,90,3.922,5.18,4.546,0.187
HYP,HB,5,1.278,2.3700,2.134,0.479
HYP,HB2,88,1.03,2.60,2.125,0.269
HYP,HB3,86,1.17,2.546,2.111,0.227
HYP,HBA,1,2.3424,2.3424,2.342,
HYP,HD,3,3.6429,3.8612,3.721,0.121
HYP,HD1,5,3.477,5.65,4.454,1.072
HYP,HD2,10,3.541,4.360,3.790,0.227
HYP,HD22,73,2.26,4.25,3.718,0.237
HYP,HD23,72,3.150,4.193,3.734,0.185
HYP,HD3,10,3.583,3.948,3.823,0.110
HYP,HDA,4,3.7563,3.8667,3.816,0.052
HYP,HG,78,1.957,5.18,4.337,0.640
HYP,HG2,5,1.756,4.742,3.181,1.435
HYP,HG3,4,1.752,4.720,2.682,1.376
HYP,HN,1,4.549,4.549,4.549,
HYP,HOD1,3,2.0158,2.0681,2.033,0.030
HYPR,HA,1,5.244,5.244,5.244,
HYPR,HB2,1,1.869,1.869,1.869,
HYPR,HB3,1,2.355,2.355,2.355,
HYPR,HD2,1,3.673,3.673,3.673,
HYPR,HD3,1,3.673,3.673,3.673,
HYPR,HG,1,4.727,4.727,4.727,
I4G,CA,3,53.213,53.969,53.565,0.381
I4G,CB,3,57.647,59.297,58.589,0.849
I4G,CD1,2,22.141,22.448,22.295,0.217
I4G,CD2,2,21.958,24.448,23.203,1.761
I4G,CG,1,30.152,30.152,30.152,
I4G,HA2,3,4.039,4.338,4.213,0.155
I4G,HA3,3,3.958,4.256,4.135,0.157
I4G,HB,1,3.262,3.262,3.262,
I4G,HB2,2,3.272,3.421,3.347,0.105
I4G,HB3,2,3.054,3.358,3.206,0.215
I4G,HD,2,0.845,0.898,0.872,0.037
I4G,HD1,1,0.953,0.953,0.953,
I4G,HD2,1,0.896,0.896,0.896,
I4G,HG,3,1.899,1.981,1.947,0.043
IAM,1HK1,1,1.133,1.133,1.133,
IAM,1HT,1,4.012,4.012,4.012,
IAM,H,6,8.428,8.783,8.625,0.135
IAM,HA,6,4.391,4.576,4.467,0.079
IAM,HB2,6,2.623,3.138,3.002,0.189
IAM,HB3,6,2.660,3.060,2.794,0.147
IAM,HD1,6,7.248,7.343,7.293,0.041
IAM,HE1,6,7.301,7.329,7.316,0.011
IAM,HH,3,8.545,8.600,8.567,0.029
IAM,HI,6,3.124,3.163,3.140,0.015
IAM,HK,5,1.112,1.156,1.136,0.016
IAM,HT,5,3.996,4.032,4.020,0.015
IAS,H,1,7.6818,7.6818,7.682,
IAS,HA,1,4.5283,4.5283,4.528,
IAS,HB2,1,2.7581,2.7581,2.758,
IAS,HB3,1,2.7569,2.7569,2.757,
IGU,C1',19,84.3,87.4,85.463,1.247
IGU,C3',19,76.9,78.5,77.953,0.664
IGU,C4',19,84.5,88.1,86.679,1.438
IGU,C5',9,60.7,68.1,64.811,3.900
IGU,C8,14,140.3,140.8,140.507,0.230
IGU,H1,1,11.29,11.29,11.290,
IGU,H1',21,4.68,5.72,5.036,0.403
IGU,H2',21,2.34,2.8,2.645,0.179
IGU,H2'',21,2.54,2.93,2.774,0.151
IGU,H3',21,4.94,5.07,5.022,0.053
IGU,H4',21,4.25,4.7,4.586,0.128
IGU,H5',21,3.88,4.24,4.077,0.140
IGU,H5'',21,3.97,4.32,4.198,0.139
IGU,H61,16,10.17,10.36,10.275,0.071
IGU,H62,16,5.87,7.08,6.415,0.483
IGU,H8,21,8.02,8.21,8.115,0.072
IGU,HN1,20,13.42,14.36,13.898,0.372
IGU,HN61,5,5.87,7.35,6.602,0.628
IGU,HN62,5,7.35,10.36,9.690,1.310
IIL,H,1,8.39,8.39,8.390,
IIL,HA,2,3.83,3.90,3.865,0.049
IIL,HB,2,1.47,1.98,1.725,0.361
IIL,HD1,2,0.50,0.51,0.505,0.007
IIL,HG12,2,1.02,1.50,1.260,0.339
IIL,HG13,2,1.02,1.03,1.025,0.007
IIL,HG2,2,0.64,0.68,0.660,0.028
ILE_NH2,H,1,8.821,8.821,8.821,
ILE_NH2,HA,1,4.143,4.143,4.143,
ILE_NH2,HB,1,1.575,1.575,1.575,
ILE_NH2,HD11,1,0.79,0.79,0.790,
ILE_NH2,HD12,1,0.79,0.79,0.790,
ILE_NH2,HD13,1,0.79,0.79,0.790,
ILE_NH2,HG12,1,1.439,1.439,1.439,
ILE_NH2,HG13,1,1.439,1.439,1.439,
ILE_NH2,HG21,1,0.955,0.955,0.955,
ILE_NH2,HG22,1,0.955,0.955,0.955,
ILE_NH2,HG23,1,0.955,0.955,0.955,
ILE_NH2,HT1,1,7.152,7.152,7.152,
ILE_NH2,HT2,1,7.733,7.733,7.733,
IMD,HD1,1,10.596,10.596,10.596,
IMT,CB,2,113.935,114.128,114.032,0.136
IMT,CD,3,36.371,36.416,36.396,0.023
IMT,H,3,10.417,10.457,10.434,0.021
IMT,HB,5,7.459,7.467,7.463,0.003
IMT,HD1,6,3.944,3.955,3.948,0.004
INO,H1',1,6.358,6.358,6.358,
INO,H2,1,8.024,8.024,8.024,
INO,H2',1,2.811,2.811,2.811,
INO,H2'',1,2.766,2.766,2.766,
INO,H3',1,4.733,4.733,4.733,
INO,H4',1,4.234,4.234,4.234,
INO,H5',1,4.359,4.359,4.359,
INO,H5'',1,3.888,3.888,3.888,
INO,H8,1,8.492,8.492,8.492,
IOR,H,1,7.288,7.288,7.288,
IOR,H3,1,3.950,3.950,3.950,
IOR,H61,1,1.154,1.154,1.154,
IOR,H62,1,1.154,1.154,1.154,
IOR,H63,1,1.154,1.154,1.154,
IOR,HA,1,3.619,3.619,3.619,
IOR,HB2,1,1.657,1.657,1.657,
IOR,HB3,1,1.657,1.657,1.657,
IOR,HD2,1,3.230,3.230,3.230,
IOR,HG2,1,1.506,1.506,1.506,
IQG,H1',2,5.857,5.864,5.861,0.005
IQG,H2',2,2.543,2.669,2.606,0.089
IQG,H2'',2,2.506,2.770,2.638,0.187
IQG,H2'1,1,2.719,2.719,2.719,
IQG,H2'2,1,2.916,2.916,2.916,
IQG,H3',2,4.826,4.939,4.883,0.080
IQG,H3'a,1,5.122,5.122,5.122,
IQG,H4',1,4.139,4.139,4.139,
IQG,H4a,2,8.375,8.569,8.472,0.137
IQG,H4A,1,8.374,8.374,8.374,
IQG,H5',1,3.888,3.888,3.888,
IQG,H5'',1,3.807,3.807,3.807,
IQG,H7a,2,7.365,8.112,7.739,0.528
IQG,H8,2,7.910,7.990,7.950,0.057
IQG,H8a,2,6.303,6.877,6.590,0.406
IQG,H8b,1,8.302,8.302,8.302,
IQG,H9a,2,7.482,7.744,7.613,0.185
IQG,M15,2,3.223,3.357,3.290,0.095
IYR,H,2,8.118,8.128,8.123,0.007
IYR,HA,2,4.514,4.531,4.523,0.012
IYR,HB2,2,2.948,2.956,2.952,0.006
IYR,HB3,2,2.703,2.717,2.710,0.010
IYR,HD1,2,7.054,7.560,7.307,0.358
IYR,HD2,2,7.055,7.446,7.251,0.276
IYR,HE1,2,6.736,6.744,6.740,0.006
IYR,HH,1,10.062,10.062,10.062,
J32,H1,1,7.451,7.451,7.451,
J32,H10,1,7.718,7.718,7.718,
J32,H11,1,6.667,6.667,6.667,
J32,H12,1,6.686,6.686,6.686,
J32,H13,1,6.713,6.713,6.713,
J32,H14,1,6.713,6.713,6.713,
J32,H2,1,6.850,6.850,6.850,
J32,H3,1,7.479,7.479,7.479,
J32,H4,1,7.608,7.608,7.608,
J32,H5,1,7.299,7.299,7.299,
J32,H7,1,6.700,6.700,6.700,
J32,H8,1,6.756,6.756,6.756,
J32,H9,1,8.034,8.034,8.034,
JDT,H1',1,5.858,5.858,5.858,
JDT,H2',1,2.397,2.397,2.397,
JDT,H2'',1,2.527,2.527,2.527,
JDT,H3,1,13.317,13.317,13.317,
JDT,H3',1,4.733,4.733,4.733,
JDT,H6,1,7.124,7.124,7.124,
JDT,H71,1,1.901,1.901,1.901,
JDT,H72,1,1.973,1.973,1.973,
JDT,H72A,1,1.481,1.481,1.481,
JDT,H72C,1,2.401,2.401,2.401,
JH3,H2,1,6.104,6.104,6.104,
JH3,H3',1,1.184,1.184,1.184,
JH3,H3'A,1,1.184,1.184,1.184,
JH3,H3'B,1,1.184,1.184,1.184,
JH3,H4,1,1.968,1.968,1.968,
JH3,H4A,1,1.968,1.968,1.968,
JH3,H5,1,1.424,1.424,1.424,
JH3,H5A,1,1.424,1.424,1.424,
JH3,H6,1,4.743,4.743,4.743,
JH3,H7',1,1.150,1.150,1.150,
JH3,H7'A,1,1.150,1.150,1.150,
JH3,H7'B,1,1.150,1.150,1.150,
JH3,H8,1,1.955,1.955,1.955,
JH3,H8A,1,1.435,1.435,1.435,
JH3,H9,1,1.097,1.097,1.097,
JH3,H9A,1,1.097,1.097,1.097,
JH3,HA,1,2.655,2.655,2.655,
JH3,HB',1,-0.101,-0.101,-0.101,
JH3,HB'A,1,-0.101,-0.101,-0.101,
JH3,HB'B,1,-0.101,-0.101,-0.101,
JH3,HC,1,-0.101,-0.101,-0.101,
JH3,HCA,1,-0.101,-0.101,-0.101,
JH3,HCB,1,-0.101,-0.101,-0.101,
JH3,HM,1,3.468,3.468,3.468,
JH3,HMA,1,3.468,3.468,3.468,
JH3,HMB,1,3.468,3.468,3.468,
JKH,HA,1,4.701,4.701,4.701,
JKH,HB2,1,2.410,2.410,2.410,
JKH,HB3,1,2.410,2.410,2.410,
JKH,HD2,1,4.156,4.156,4.156,
JKH,HD3,1,4.156,4.156,4.156,
JKH,HG21,1,2.813,2.813,2.813,
JKH,HG22,1,2.813,2.813,2.813,
JPT,H12,1,7.130,7.130,7.130,
JPT,H13,1,6.830,6.830,6.830,
JPT,H2,1,6.510,6.510,6.510,
JPT,H61,1,4.440,4.440,4.440,
JPT,H62,1,4.440,4.440,4.440,
JPT,H7,1,5.130,5.130,5.130,
JZF,H11,1,2.135,2.135,2.135,
JZF,H117,1,0.970,0.970,0.970,
JZF,H118,1,0.621,0.621,0.621,
JZF,H119,1,0.807,0.807,0.807,
JZF,H121,1,1.463,1.463,1.463,
JZF,H122,1,1.407,1.407,1.407,
JZF,H13,1,2.082,2.082,2.082,
JZF,H141,1,2.208,2.208,2.208,
JZF,H142,1,1.651,1.651,1.651,
JZF,H151,1,5.098,5.098,5.098,
JZF,H152,1,3.961,3.961,3.961,
JZF,H161,1,4.077,4.077,4.077,
JZF,H162,1,4.017,4.017,4.017,
JZF,H217,1,0.970,0.970,0.970,
JZF,H218,1,0.621,0.621,0.621,
JZF,H219,1,0.807,0.807,0.807,
JZF,H31,1,2.353,2.353,2.353,
JZF,H317,1,0.970,0.970,0.970,
JZF,H318,1,0.621,0.621,0.621,
JZF,H319,1,0.807,0.807,0.807,
JZF,H32,1,2.353,2.353,2.353,
JZF,H4,1,1.208,1.208,1.208,
JZF,H51,1,2.381,2.381,2.381,
JZF,H52,1,2.381,2.381,2.381,
JZF,H71,1,1.482,1.482,1.482,
JZF,H72,1,0.998,0.998,0.998,
JZF,H8,1,3.604,3.604,3.604,
JZF,H9,1,2.539,2.539,2.539,
K4Z,H031,1,3.151,3.151,3.151,
K4Z,H041,1,1.934,1.934,1.934,
K4Z,H042,1,2.126,2.126,2.126,
K4Z,H051,1,2.960,2.960,2.960,
K4Z,H071,1,2.168,2.168,2.168,
K4Z,H072,1,1.691,1.691,1.691,
K4Z,H081,1,2.875,2.875,2.875,
K4Z,H111,1,3.600,3.600,3.600,
K4Z,H112,1,3.600,3.600,3.600,
K4Z,H113,1,3.600,3.600,3.600,
K4Z,H13,1,6.309,6.309,6.309,
K4Z,H15,1,7.125,7.125,7.125,
K4Z,H221,1,3.685,3.685,3.685,
K4Z,H222,1,3.685,3.685,3.685,
K4Z,H223,1,3.685,3.685,3.685,
K4Z,H23,1,6.320,6.320,6.320,
K4Z,H25,1,7.530,7.530,7.530,
K4Z,H33,1,6.249,6.249,6.249,
K4Z,H331,1,3.831,3.831,3.831,
K4Z,H332,1,3.831,3.831,3.831,
K4Z,H333,1,3.831,3.831,3.831,
K4Z,H35,1,7.608,7.608,7.608,
K4Z,H44,1,7.518,7.518,7.518,
K4Z,H441,1,3.967,3.967,3.967,
K4Z,H442,1,3.967,3.967,3.967,
K4Z,H443,1,3.967,3.967,3.967,
K4Z,H53,1,6.299,6.299,6.299,
K4Z,H55,1,7.162,7.162,7.162,
K4Z,H551,1,3.579,3.579,3.579,
K4Z,H552,1,3.579,3.579,3.579,
K4Z,H553,1,3.579,3.579,3.579,
K4Z,H63,1,6.121,6.121,6.121,
K4Z,H65,1,7.643,7.643,7.643,
K4Z,H661,1,3.823,3.823,3.823,
K4Z,H662,1,3.823,3.823,3.823,
K4Z,H663,1,3.823,3.823,3.823,
K4Z,H73,1,5.972,5.972,5.972,
K4Z,H75,1,7.566,7.566,7.566,
K4Z,H771,1,3.899,3.899,3.899,
K4Z,H772,1,3.899,3.899,3.899,
K4Z,H773,1,3.899,3.899,3.899,
K4Z,H83,1,7.242,7.242,7.242,
K4Z,H84,1,7.053,7.053,7.053,
K4Z,H881,1,3.955,3.955,3.955,
K4Z,H882,1,3.955,3.955,3.955,
K4Z,H883,1,3.955,3.955,3.955,
K4Z,H931,1,1.507,1.507,1.507,
K4Z,H941,1,2.249,2.249,2.249,
K4Z,HN02,1,8.080,8.080,8.080,
K4Z,HN1,1,9.298,9.298,9.298,
K4Z,HN2,1,10.695,10.695,10.695,
K4Z,HN3,1,9.906,9.906,9.906,
K4Z,HN4,1,11.178,11.178,11.178,
K4Z,HN5,1,9.113,9.113,9.113,
K4Z,HN6,1,10.185,10.185,10.185,
K4Z,HN7,1,9.665,9.665,9.665,
K4Z,HN9,1,7.926,7.926,7.926,
KBF,H1,1,7.330,7.330,7.330,
KBF,H11,1,1.670,1.670,1.670,
KBF,H12,1,1.974,1.974,1.974,
KBF,H13,1,1.974,1.974,1.974,
KBF,H2,1,7.757,7.757,7.757,
KBF,H3,1,7.553,7.553,7.553,
KBF,H4,1,7.397,7.397,7.397,
KBF,H5,1,7.923,7.923,7.923,
KBF,H6,1,8.403,8.403,8.403,
KCR,CB,1,32.9200,32.9200,32.920,
KCR,CD,1,30.2400,30.2400,30.240,
KCR,CE,1,41.5000,41.5000,41.500,
KCR,CG,1,24.8300,24.8300,24.830,
KCR,HA,1,4.2400,4.2400,4.240,
KCR,HB3,1,1.7550,1.7550,1.755,
KCR,HD1,1,1.5300,1.5300,1.530,
KCR,HE1,1,3.2200,3.2200,3.220,
KCR,HG3,1,1.3500,1.3500,1.350,
KCR,HN,1,8.4100,8.4100,8.410,
KCR,HZ1,1,8.0100,8.0100,8.010,
KCX,C,2,175.1,176.9,176.000,1.273
KCX,CA,2,57.5,58.7,58.100,0.849
KCX,CB,2,32.8,32.9,32.850,0.071
KCX,CD,2,32.07,33.4,32.735,0.940
KCX,CE,2,56.91,57.34,57.125,0.304
KCX,CG,2,23.8,26.1,24.950,1.626
KCX,H,2,7.86,8.28,8.070,0.297
KCX,HA,2,3.10,3.74,3.420,0.453
KCX,HB2,2,1.40,1.93,1.665,0.375
KCX,HB3,2,1.17,1.84,1.505,0.474
KCX,HD2,2,1.39,1.83,1.610,0.311
KCX,HD3,2,0.74,1.79,1.265,0.742
KCX,HE,2,3.98,4.23,4.105,0.177
KCX,HG2,1,1.47,1.47,1.470,
KCX,HG3,1,1.47,1.47,1.470,
KCX,HZ,2,7.51,8.28,7.895,0.544
KCX,N,2,126.6,128.5,127.550,1.344
KCX,NZ,2,108.1,117.4,112.750,6.576
KCY,HA,1,4.270,4.270,4.270,
KCY,HN,1,8.660,8.660,8.660,
KOB,H1,1,7.102,7.102,7.102,
KOB,H2,1,7.542,7.542,7.542,
KOB,H3,1,7.327,7.327,7.327,
KOB,H4,1,7.982,7.982,7.982,
KOB,H5,1,8.919,8.919,8.919,
KYN,C,1,176.393,176.393,176.393,
KYN,C1,2,202.986,203.002,202.994,0.011
KYN,CA,2,52.485,52.671,52.578,0.132
KYN,CB,2,42.836,43.059,42.948,0.158
KYN,CD1,2,119.387,123.707,121.547,3.055
KYN,CD2,2,120.098,124.375,122.237,3.024
KYN,CE1,2,138.265,138.343,138.304,0.055
KYN,CE2,2,134.162,134.368,134.265,0.146
KYN,CG,2,144.811,153.204,149.008,5.935
KYN,CZ,2,120.662,124.829,122.746,2.947
KYN,H,3,8.44,8.520,8.470,0.044
KYN,HA,5,4.75,5.001,4.887,0.099
KYN,HB,2,3.676,3.688,3.682,0.008
KYN,HB2,3,3.258,3.45,3.386,0.111
KYN,HB3,3,3.13,3.535,3.342,0.203
KYN,HBA,1,3.602,3.602,3.602,
KYN,HD1,2,6.783,7.142,6.963,0.254
KYN,HE1,4,7.38,7.62,7.494,0.120
KYN,HE2,2,7.818,7.977,7.898,0.112
KYN,HE3,1,6.56,6.56,6.560,
KYN,HH,1,7.357,7.357,7.357,
KYN,HI,1,7.412,7.412,7.412,
KYN,HT,1,6.683,6.683,6.683,
KYN,HZ,3,6.793,7.167,6.935,0.202
L2H,HB1,1,2.860,2.860,2.860,
L2H,HB1',1,2.832,2.832,2.832,
L2H,HB2,1,2.860,2.860,2.860,
L2H,HB2',1,2.832,2.832,2.832,
L2H,HC1,1,1.541,1.541,1.541,
L2H,HC1',1,1.631,1.631,1.631,
L2H,HC2,1,1.608,1.608,1.608,
L2H,HC2',1,1.631,1.631,1.631,
L2H,HD1,1,0.934,0.934,0.934,
L2H,HD1',1,0.965,0.965,0.965,
L2H,HD2,1,1.343,1.343,1.343,
L2H,HD2',1,1.366,1.366,1.366,
L2H,HE1,1,1.843,1.843,1.843,
L2H,HE1',1,1.920,1.920,1.920,
L2H,HE2,1,2.122,2.122,2.122,
L2H,HE2',1,1.966,1.966,1.966,
L2H,HF,1,4.845,4.845,4.845,
L2H,HF',1,4.293,4.293,4.293,
L2H,HG,1,7.721,7.721,7.721,
L2H,HH,1,7.506,7.506,7.506,
L2H,HI,1,8.052,8.052,8.052,
L2H,HJ,1,8.484,8.484,8.484,
L2H,HK,1,7.795,7.795,7.795,
L2H,HL,1,7.845,7.845,7.845,
L2H,HM1,1,2.305,2.305,2.305,
L2H,HM2,1,2.305,2.305,2.305,
L2H,HM3,1,2.305,2.305,2.305,
L2H,HN1,1,2.400,2.400,2.400,
L2H,HN2,1,2.400,2.400,2.400,
L2H,HN3,1,2.400,2.400,2.400,
L8P,C1',1,52.9930,52.9930,52.993,
L8P,C2',1,80.8600,80.8600,80.860,
L8P,C3',1,66.7380,66.7380,66.738,
L8P,C4',1,66.4220,66.4220,66.422,
L8P,H1',1,3.2426,3.2426,3.243,
L8P,H1'A,1,3.8593,3.8593,3.859,
L8P,H2',1,3.7438,3.7438,3.744,
L8P,H3',1,3.8540,3.8540,3.854,
L8P,H3'A,1,4.2057,4.2057,4.206,
L8P,H4',1,3.6223,3.6223,3.622,
L8P,H4'A,1,3.8577,3.8577,3.858,
L8P,H5,1,5.3955,5.3955,5.396,
L8P,H6,1,7.4780,7.4780,7.478,
L8P,HN4,1,7.6696,7.6696,7.670,
L8P,HN4A,1,6.2833,6.2833,6.283,
L94,C2,1,131.404,131.404,131.404,
L94,C3,1,131.404,131.404,131.404,
L94,C31,1,42.768,42.768,42.768,
L94,C34,1,42.768,42.768,42.768,
L94,C41,1,25.174,25.174,25.174,
L94,C44,1,25.174,25.174,25.174,
L94,C5,1,131.404,131.404,131.404,
L94,C51,1,57.580,57.580,57.580,
L94,C54,1,57.580,57.580,57.580,
L94,C6,1,131.404,131.404,131.404,
L94,C71,1,45.640,45.640,45.640,
L94,C74,1,45.640,45.640,45.640,
L94,C81,1,45.640,45.640,45.640,
L94,C84,1,45.640,45.640,45.640,
L94,H131,1,3.550,3.550,3.550,
L94,H13A,1,3.550,3.550,3.550,
L94,H141,1,2.172,2.172,2.172,
L94,H14A,1,2.172,2.172,2.172,
L94,H151,1,3.243,3.243,3.243,
L94,H15A,1,3.243,3.243,3.243,
L94,H171,1,2.888,2.888,2.888,
L94,H17A,1,2.888,2.888,2.888,
L94,H17B,1,2.888,2.888,2.888,
L94,H181,1,2.888,2.888,2.888,
L94,H18A,1,2.888,2.888,2.888,
L94,H18B,1,2.888,2.888,2.888,
L94,H2,1,7.831,7.831,7.831,
L94,H3,1,7.831,7.831,7.831,
L94,H434,1,3.550,3.550,3.550,
L94,H43A,1,3.550,3.550,3.550,
L94,H444,1,2.172,2.172,2.172,
L94,H44A,1,2.172,2.172,2.172,
L94,H454,1,3.243,3.243,3.243,
L94,H45A,1,3.243,3.243,3.243,
L94,H474,1,2.888,2.888,2.888,
L94,H47A,1,2.888,2.888,2.888,
L94,H47B,1,2.888,2.888,2.888,
L94,H484,1,2.888,2.888,2.888,
L94,H48A,1,2.888,2.888,2.888,
L94,H48B,1,2.888,2.888,2.888,
L94,H5,1,7.831,7.831,7.831,
L94,H6,1,7.831,7.831,7.831,
Lan_DA,H,1,8.42,8.42,8.420,
Lan_DA,HA,1,4.61,4.61,4.610,
Lan_LA,H,1,8.33,8.33,8.330,
Lan_LA,HA,1,4.52,4.52,4.520,
LCG,C8,2,136.129,137.196,136.663,0.754
LCG,H1,5,11.242,11.843,11.514,0.276
LCG,H1',6,5.196,6.074,5.713,0.327
LCG,H2',5,4.513,5.207,4.846,0.273
LCG,H21,1,9.569,9.569,9.569,
LCG,H22,1,6.982,6.982,6.982,
LCG,H3',6,4.342,4.873,4.677,0.208
LCG,H5',1,4.462,4.462,4.462,
LCG,H5'',1,4.355,4.355,4.355,
LCG,H6'1,4,3.877,4.424,4.116,0.249
LCG,H6'2,2,3.925,4.420,4.173,0.350
LCG,H8,6,6.890,7.508,7.343,0.231
LE1,H9,1,1.137,1.137,1.137,
LE1,H9A,1,1.137,1.137,1.137,
LE1,H9B,1,1.137,1.137,1.137,
LE1,HA,1,4.337,4.337,4.337,
LE1,HN,1,7.743,7.743,7.743,
LEU_NH2,H,1,7.79,7.79,7.790,
LEU_NH2,HA,1,4.00,4.00,4.000,
LEU_NH2,HB2,1,1.82,1.82,1.820,
LEU_NH2,HD1,1,0.88,0.88,0.880,
LEU_NH2,HD2,1,0.88,0.88,0.880,
LEU_NH2,HG,1,1.54,1.54,1.540,
LHO,H1,1,7.17,7.17,7.170,
LHO,H1',1,6,6,6.000,
LHO,H101,1,1.22,1.22,1.220,
LHO,H102,1,1.22,1.22,1.220,
LHO,H103,1,1.22,1.22,1.220,
LHO,H12',1,2.52,2.52,2.520,
LHO,H2,1,6.39,6.39,6.390,
LHO,H22',1,2.18,2.18,2.180,
LHO,H310,1,6.25,6.25,6.250,
LHO,H8,1,7.41,7.41,7.410,
LHO,H9,1,5.2,5.2,5.200,
LLT,H1',1,6.051,6.051,6.051,
LLT,H2',1,2.072,2.072,2.072,
LLT,H2'',1,2.242,2.242,2.242,
LLT,H3',1,4.456,4.456,4.456,
LLT,H4',1,4.052,4.052,4.052,
LLT,H5,1,5.131,5.131,5.131,
LLT,H5',1,4.046,4.046,4.046,
LLT,H5'',1,4.174,4.174,4.174,
LLT,H6,1,7.455,7.455,7.455,
LLT,H7,1,1.603,1.603,1.603,
LLT,P,1,-3.889,-3.889,-3.889,
LME,H,1,8.275,8.275,8.275,
LME,HA,1,4.575,4.575,4.575,
LME,HB,1,2.425,2.425,2.425,
LME,HG1,1,0.931,0.931,0.931,
LME,HG22,1,2.114,2.114,2.114,
LME,HG23,1,2.369,2.369,2.369,
LML,HA,1,3.398,3.398,3.398,
LML,HB2,1,1.851,1.851,1.851,
LML,HB3,1,1.585,1.585,1.585,
LML,HD1,1,0.896,0.896,0.896,
LML,HD2,1,0.896,0.896,0.896,
LML,HG,1,1.444,1.444,1.444,
LPD,HA,1,4.39,4.39,4.390,
LPD,HB2,1,1.95,1.95,1.950,
LPD,HB3,1,2.27,2.27,2.270,
LPD,HD2,2,3.52,3.80,3.660,0.198
LPD,HD3,2,3.57,3.70,3.635,0.092
LPD,HG2,2,1.97,1.97,1.970,0.000
LPD,HG3,2,1.97,1.98,1.975,0.007
LWM,H1',3,3.834,3.911,3.860,0.044
LWM,H2',3,1.702,1.722,1.715,0.012
LWM,H2'',3,1.889,1.896,1.894,0.004
LWM,H3,3,4.401,4.405,4.404,0.002
LWM,H4',3,2.163,2.167,2.166,0.002
LWM,H6',3,0.960,0.965,0.962,0.003
LWM,H6'',3,1.980,2.066,2.037,0.050
LWM,HN9,3,7.211,7.917,7.446,0.408
LWQ,H1,1,8.094,8.094,8.094,
LWQ,H11,1,7.816,7.816,7.816,
LWQ,H12,1,8.753,8.753,8.753,
LWQ,H13,1,8.976,8.976,8.976,
LWQ,H14,1,7.816,7.816,7.816,
LWQ,H17,1,7.816,7.816,7.816,
LWQ,H18,1,4.678,4.678,4.678,
LWQ,H19,1,4.678,4.678,4.678,
LWQ,H2,1,8.094,8.094,8.094,
LWQ,H20,1,4.678,4.678,4.678,
LWQ,H21,1,4.678,4.678,4.678,
LWQ,H22,1,4.678,4.678,4.678,
LWQ,H23,1,4.678,4.678,4.678,
LWQ,H4,1,10.913,10.913,10.913,
LWQ,H5,1,10.913,10.913,10.913,
LWQ,H6,1,8.976,8.976,8.976,
LWQ,H7,1,8.753,8.753,8.753,
LWQ,H8,1,7.816,7.816,7.816,
LYR,C,2,177.081,177.179,177.130,0.069
LYR,CA,2,58.555,58.884,58.720,0.233
LYR,CB,2,34.757,34.879,34.818,0.086
LYR,H,2,7.714,8.335,8.025,0.439
LYR,HA,1,4.815,4.815,4.815,
LYR,N,2,113.027,113.491,113.259,0.328
LYS_NH2,C,1,180,180,180.000,
LYS_NH2,CA,1,53,53,53.000,
LYS_NH2,CB,1,36,36,36.000,
LYS_NH2,CD,1,28,28,28.000,
LYS_NH2,CE,1,42,42,42.000,
LYS_NH2,CG,1,26,26,26.000,
LYS_NH2,NZ,1,30,30,30.000,
M2G,H1,1,12.686,12.686,12.686,
M2G,N1,1,148.402,148.402,148.402,
M2L,CA,1,55.771,55.771,55.771,
M2L,CB,1,35.170,35.170,35.170,
M2L,CM1,1,46.770,46.770,46.770,
M2L,CM2,1,46.770,46.770,46.770,
M2L,HA,1,4.534,4.534,4.534,
M2L,HB,1,2.852,2.852,2.852,
M2L,HBA,1,2.987,2.987,2.987,
M2L,HE,1,3.166,3.166,3.166,
M2L,HEA,1,2.980,2.980,2.980,
M2L,HM1,1,2.411,2.411,2.411,
M2L,HM1A,1,2.411,2.411,2.411,
M2L,HM1B,1,2.411,2.411,2.411,
M2L,HM2,1,2.411,2.411,2.411,
M2L,HM2A,1,2.411,2.411,2.411,
M2L,HM2B,1,2.411,2.411,2.411,
M3L,H,6,7.807,9.808,8.596,0.701
M3L,HA,12,4.150,4.756,4.455,0.230
M3L,HB2,9,0.524,2.15,1.616,0.459
M3L,HB3,10,0.947,1.92,1.626,0.300
M3L,HD1,1,1.475,1.475,1.475,
M3L,HD2,10,-0.010,1.649,1.146,0.640
M3L,HD3,9,0.583,1.81,1.263,0.458
M3L,HE1,1,3.069,3.069,3.069,
M3L,HE2,11,0.795,3.55,2.651,0.870
M3L,HE3,8,0.864,3.47,2.596,0.997
M3L,HG1,1,0.108,0.108,0.108,
M3L,HG2,9,0.108,1.603,1.057,0.567
M3L,HG3,7,0.533,1.603,1.260,0.382
M3L,HM11,11,1.338,3.44,2.620,0.754
M3L,HM12,11,1.338,3.44,2.617,0.757
M3L,HM13,10,1.338,3.44,2.732,0.689
M3L,HM21,8,1.291,3.44,2.440,0.924
M3L,HM22,8,1.291,3.44,2.438,0.925
M3L,HM23,7,1.291,3.44,2.573,0.911
M3L,HM31,7,1.338,3.44,2.604,0.862
M3L,HM32,6,1.338,3.44,2.787,0.782
M3L,HM33,6,1.338,3.44,2.787,0.782
M5U,H3,2,12.431,13.553,12.992,0.793
M5U,N3,2,158.311,159.954,159.133,1.162
M7G,H1,2,13.292,13.360,13.326,0.048
M7G,H1',1,5.6679,5.6679,5.668,
M7G,H2',1,4.8060,4.8060,4.806,
M7G,H3',1,4.3268,4.3268,4.327,
M7G,H81,1,8.4910,8.4910,8.491,
M7G,HM71,1,3.3814,3.3814,3.381,
M7G,N1,2,151.690,151.913,151.802,0.158
M9P,HA,2,4.162,4.162,4.162,0.000
M9P,HB,2,1.543,1.543,1.543,0.000
M9P,HBA,2,1.543,1.543,1.543,0.000
M9P,HD,2,3.117,3.117,3.117,0.000
M9P,HDA,2,3.117,3.117,3.117,0.000
M9P,HG,2,1.682,1.682,1.682,0.000
M9P,HGA,2,1.823,1.823,1.823,0.000
M9P,HNA,2,8.008,8.008,8.008,0.000
M9P,HNE,2,7.144,7.144,7.144,0.000
MA,H1',5,5.982,6.187,6.071,0.077
MA,H2,5,7.104,7.902,7.406,0.305
MA,H2',1,4.791,4.791,4.791,
MA,H8,5,7.663,8.697,7.984,0.434
MA,HM'1,5,3.728,3.803,3.759,0.029
MA,HM'2,5,3.728,3.803,3.759,0.029
MA,HM'3,5,3.728,3.803,3.759,0.029
MA7,C1',1,88.1,88.1,88.100,
MA7,C2,1,149.8,149.8,149.800,
MA7,C2',1,39.1,39.1,39.100,
MA7,C4',1,86.4,86.4,86.400,
MA7,C8,1,147.1,147.1,147.100,
MA7,H1',1,5.58,5.58,5.580,
MA7,H2,1,8.42,8.42,8.420,
MA7,H2',1,2.25,2.25,2.250,
MA7,H2'',1,2.02,2.02,2.020,
MA7,H4',1,4.02,4.02,4.020,
MA7,H8,1,7.48,7.48,7.480,
MAA,HA,1,5.425,5.425,5.425,
MAA,HB1,1,1.481,1.481,1.481,
MAA,HB2,1,1.481,1.481,1.481,
MAA,HB3,1,1.481,1.481,1.481,
MAA,HM1,1,3.403,3.403,3.403,
MAA,HM2,1,3.403,3.403,3.403,
MAA,HM3,1,3.403,3.403,3.403,
MAG,C1,5,103.622,104.584,104.362,0.414
MAG,C2,5,58.214,58.384,58.307,0.064
MAG,C3,5,77.340,78.768,78.043,0.652
MAG,C4,5,74.956,76.117,75.594,0.566
MAG,C5,5,77.917,78.032,77.961,0.056
MAG,C6,5,62.131,62.558,62.331,0.171
MAG,C7,3,176.835,177.126,176.947,0.157
MAG,C8,5,24.837,25.026,24.916,0.070
MAG,CM,3,59.819,59.863,59.845,0.023
MAG,H1,6,4.426,4.686,4.489,0.098
MAG,H2,6,3.719,3.913,3.862,0.073
MAG,H3,6,3.797,4.041,3.903,0.093
MAG,H4,6,3.726,3.926,3.840,0.091
MAG,H5,6,3.492,3.590,3.542,0.041
MAG,H61,6,3.857,3.956,3.895,0.040
MAG,H62,6,3.709,4.007,3.883,0.137
MAG,H81,6,1.759,2.081,1.986,0.114
MAG,H82,6,1.759,2.081,1.986,0.114
MAG,H83,6,1.759,2.081,1.986,0.114
MAG,HM1,3,3.492,3.497,3.495,0.003
MAG,HM2,3,3.492,3.497,3.495,0.003
MAG,HM3,3,3.492,3.497,3.495,0.003
MAG,HN2,5,8.498,8.561,8.537,0.025
MAH,H61,1,1.295,1.295,1.295,
MAH,H62,1,1.295,1.295,1.295,
MAH,H63,1,1.295,1.295,1.295,
MAN,C1,5,103.1000,104.9800,103.756,0.728
MAN,C2,5,72.7600,72.9930,72.865,0.118
MAN,C3,5,73.2000,73.4490,73.364,0.113
MAN,C4,5,69.5700,70.2690,69.828,0.263
MAN,C5,5,75.7920,76.4400,75.922,0.290
MAN,C6,5,63.7600,63.9000,63.831,0.052
MAN,H1,10,4.6290,4.949,4.854,0.109
MAN,H2,8,3.718,3.8990,3.810,0.056
MAN,H3,7,3.7110,3.9430,3.811,0.086
MAN,H4,5,3.6020,3.7190,3.661,0.057
MAN,H5,5,3.5230,3.8190,3.671,0.107
MAN,H61,5,3.7260,3.8450,3.784,0.046
MAN,H62,5,3.8470,3.9820,3.922,0.050
MC,H1',4,5.553,5.777,5.666,0.102
MC,H5,4,5.243,5.692,5.406,0.213
MC,H6,4,7.592,7.949,7.704,0.165
MC,HM'1,4,3.579,3.671,3.622,0.041
MC,HM'2,4,3.579,3.671,3.622,0.041
MC,HM'3,4,3.579,3.671,3.622,0.041
MEA,H,2,2.25,3.08,2.665,0.587
MEA,HA,2,4.95,5.22,5.085,0.191
MEA,HB2,2,3.04,3.15,3.095,0.078
MEA,HB3,2,3.22,3.36,3.290,0.099
MEA,HD1,2,7.22,7.25,7.235,0.021
MEA,HE1,2,7.31,7.36,7.335,0.035
MED,CA,1,56.01,56.01,56.010,
MED,CB,1,32.59,32.59,32.590,
MED,CG,1,31.98,31.98,31.980,
MED,H,1,8.16,8.16,8.160,
MED,HA,1,4.25,4.25,4.250,
MED,HB2,1,1.88,1.88,1.880,
MED,HB3,1,1.94,1.94,1.940,
MED,HG2,1,2.29,2.29,2.290,
MED,HG3,1,2.35,2.35,2.350,
MEG,H,2,8.03,8.33,8.180,0.212
MEG,HA,2,4.50,4.51,4.505,0.007
MEG,HB2,2,2.43,2.44,2.435,0.007
MEG,HB3,1,2.43,2.43,2.430,
MEG,HG11,1,2.34,2.34,2.340,
MEG,HG12,2,2.33,2.34,2.335,0.007
MEG,HG13,2,2.05,2.34,2.195,0.205
MEG,HG2,1,0.88,0.88,0.880,
MEG,HG22,1,0.93,0.93,0.930,
MEG,HG23,1,0.93,0.93,0.930,
MEK,H,1,8.26,8.26,8.260,
MEK,HA,1,4.42,4.42,4.420,
MEK,HB2,1,1.94,1.94,1.940,
MEK,HB3,1,1.86,1.86,1.860,
MEK,HD1,1,2.77,2.77,2.770,
MEK,HD2,1,3.05,3.05,3.050,
MEK,HM1,1,1.78,1.78,1.780,
MeLanDAb,H,4,8.63,9.32,9.000,0.283
MeLanDAb,HA,4,4.62,5.16,4.920,0.267
MeLanDAb,HB,4,3.55,3.67,3.605,0.052
MeLanDAb,HG,4,1.32,1.47,1.380,0.064
MeLan_LA,H,4,7.74,8.04,7.900,0.123
MeLan_LA,HA,4,3.86,4.51,4.213,0.313
MethylSER,H,1,3.08,3.08,3.080,
MethylSER,HA,1,4.91,4.91,4.910,
MethylSER,HB2,1,3.95,3.95,3.950,
MethylSER,HB3,1,4.03,4.03,4.030,
MG,H1,2,11.456,12.485,11.971,0.728
MG,H1',2,6.007,6.033,6.020,0.018
MG,H8,2,7.362,7.638,7.500,0.195
MG,HM'1,2,3.808,3.832,3.820,0.017
MG,HM'2,2,3.808,3.832,3.820,0.017
MG,HM'3,2,3.808,3.832,3.820,0.017
MGF,FA,2,-149.0,-146.97,-147.985,1.435
MGF,FB,2,-153.5,-151.83,-152.665,1.181
MGF,FC,2,-172.1,-159.17,-165.635,9.143
MH6,C,3,171.0,171.2,171.100,0.100
MH6,CA,3,164.6,164.7,164.667,0.058
MH6,CB,3,27.4,27.5,27.467,0.058
MH6,HB2,3,2.93,2.95,2.940,0.010
MH6,HB3,3,3.46,3.49,3.477,0.015
MH7,HB,1,7.669,7.669,7.669,
MHO,CA,12,53.123,55.494,54.609,0.987
MHO,CB,6,26.583,27.179,26.931,0.250
MHO,CE,6,39.372,39.524,39.442,0.058
MHO,CG,6,51.160,51.618,51.416,0.185
MHO,HA,12,4.519,4.832,4.638,0.138
MHO,HB2,6,2.261,2.333,2.292,0.031
MHO,HB3,6,2.136,2.182,2.158,0.019
MHO,HE,6,2.713,2.719,2.716,0.002
MHO,HG2,6,2.938,2.964,2.951,0.010
MHO,HG3,6,2.903,2.919,2.913,0.007
MK8,H,4,7.410,8.764,8.152,0.577
MK8,HB,16,1.382,2.09,1.810,0.240
MK8,HB1,18,1.34892,1.590,1.438,0.063
MK8,HB1A,16,0.930,1.52,1.360,0.162
MK8,HB1B,16,1.34892,2.320,1.605,0.340
MK8,HB2,6,1.390,2.159,1.763,0.319
MK8,HB3,6,1.530,2.159,1.757,0.220
MK8,HBA,13,1.394,2.08352,1.892,0.228
MK8,HD,14,1.616,2.10,1.866,0.185
MK8,HD2,2,1.550,1.631,1.591,0.057
MK8,HD3,6,1.550,1.921,1.761,0.163
MK8,HDA,14,1.589,2.245,1.864,0.201
MK8,HE,20,5.126,5.696,5.426,0.110
MK8,HG,13,1.003,1.56,1.249,0.183
MK8,HG2,2,0.910,1.336,1.123,0.301
MK8,HG3,6,0.910,1.336,1.068,0.149
MK8,HGA,13,1.15,1.67301,1.402,0.187
MK8,HN,12,7.83,8.52990,8.250,0.204
MK8,HNA,4,7.550,8.140,7.795,0.248
MLE,C,14,169.2,171.6,170.457,0.684
MLE,CA,16,48.2,57.6,54.086,3.557
MLE,CB,16,35.34,41.39,38.238,1.977
MLE,CD1,12,23.3,24.0,23.700,0.204
MLE,CD2,12,21.2,23.6,22.108,0.863
MLE,CG,12,24.5,25.4,24.850,0.303
MLE,CN,16,29.33,31.6,30.485,0.848
MLE,HA,17,4.929,5.701,5.267,0.268
MLE,HB2,17,1.230,2.245,2.001,0.227
MLE,HB3,17,0.956,1.890,1.362,0.236
MLE,HD11,17,0.760,1.029,0.949,0.069
MLE,HD12,17,0.760,1.029,0.949,0.069
MLE,HD13,17,0.760,1.029,0.949,0.069
MLE,HD21,17,0.760,1.015,0.888,0.074
MLE,HD22,17,0.760,1.015,0.888,0.074
MLE,HD23,17,0.760,1.015,0.888,0.074
MLE,HG,17,1.310,1.784,1.497,0.165
MLE,HN1,17,2.653,3.268,3.018,0.205
MLE,HN2,17,2.653,3.268,3.018,0.205
MLE,HN3,17,2.653,3.268,3.018,0.205
MLN_2,CA,4,59.984,61.971,60.816,0.855
MLN_2,CB,4,46.419,50.304,48.542,1.754
MLN_2,H,4,7.865,10.209,8.789,1.006
MLN_2,HA,4,4.326,4.788,4.597,0.202
MLN_2,HB,4,3.300,3.408,3.347,0.045
MLN_2,HG21,4,1.031,1.247,1.144,0.089
MLN_2,N,4,113.339,115.216,113.897,0.886
MLS,HA,1,4.59,4.59,4.590,
MLS,HB2,1,4.19,4.19,4.190,
MLS,HB3,1,4.05,4.05,4.050,
MLS,HN1,1,2.54,2.54,2.540,
MLS,HN2,1,2.54,2.54,2.540,
MLS,HN3,1,2.54,2.54,2.540,
MLY,C,10,45.287,176.491,148.985,54.656
MLY,CA,12,52.972,57.243,55.108,1.387
MLY,CB,13,32.301,35.515,33.965,1.252
MLY,CD,11,25.982,28.939,26.763,0.795
MLY,CE,12,43.159,60.246,58.410,4.827
MLY,CG,11,24.037,25.346,24.764,0.441
MLY,CH1,3,45.246,45.478,45.357,0.116
MLY,CH2,2,45.3473,45.478,45.413,0.092
MLY,H,11,2.807,9.224,7.092,2.192
MLY,HA,12,4.103,5.58,4.602,0.434
MLY,HB2,13,1.454,3.025,1.934,0.464
MLY,HB3,13,1.235,2.929,1.873,0.465
MLY,HD2,11,1.59,1.797,1.691,0.078
MLY,HD3,11,1.393,1.834,1.684,0.121
MLY,HE2,12,2.651,3.422,3.070,0.188
MLY,HE3,12,2.884,3.422,3.095,0.143
MLY,HG2,11,1.118,1.4784,1.309,0.132
MLY,HG3,11,1.027,1.543,1.360,0.143
MLY,HH1,8,2.717,2.924,2.823,0.067
MLY,HH11,3,2.813,2.944,2.885,0.067
MLY,HH12,1,2.813,2.813,2.813,
MLY,HH13,1,2.813,2.813,2.813,
MLY,HH2,8,2.717,2.924,2.823,0.067
MLY,HH21,2,2.8990,2.944,2.922,0.032
MLY,HZ,1,7.148,7.148,7.148,
MLY,N,8,112.442,127.611,120.354,4.754
MLZ,H,1,2.25,2.25,2.250,
MLZ,HA,1,4.65,4.65,4.650,
MLZ,HB2,1,1.51,1.51,1.510,
MLZ,HB3,1,1.76,1.76,1.760,
MLZ,HD3,1,1.63,1.63,1.630,
MLZ,HE3,1,2.93,2.93,2.930,
MLZ,HG3,1,1.14,1.14,1.140,
MLZ,HZ1,1,7.58,7.58,7.580,
MLZ,HZ2,1,7.58,7.58,7.580,
MLZ,HZ3,1,7.58,7.58,7.580,
MM7,H1',1,5.05,5.05,5.050,
MM7,H12',1,2.32,2.32,2.320,
MM7,H17,1,6.48,6.48,6.480,
MM7,H22',1,2.6,2.6,2.600,
MM7,H27,1,7.72,7.72,7.720,
MM7,H3,1,5.17,5.17,5.170,
MM7,H3',1,4.85,4.85,4.850,
MM7,H4',1,4.17,4.17,4.170,
MM7,H71,1,0.86,0.86,0.860,
MM7,H72,1,0.86,0.86,0.860,
MM7,H73,1,0.86,0.86,0.860,
MM7,H81,1,3.44,3.44,3.440,
MM7,H82,1,3.44,3.44,3.440,
MM7,H83,1,3.44,3.44,3.440,
MMO,CA,3,55.640,60.747,58.719,2.711
MMO,CB,3,26.001,28.315,27.439,1.255
MMO,CD,2,42.906,43.236,43.071,0.233
MMO,CG,3,26.619,27.596,27.044,0.501
MMO,HA,5,4.134,5.736,4.934,0.756
MMO,HC1,2,2.914,2.933,2.924,0.013
MMO,HC2,1,2.914,2.914,2.914,
MMO,HC3,1,2.914,2.914,2.914,
MMO,HCB1,5,1.036,1.810,1.464,0.316
MMO,HCB2,5,-0.047,1.816,1.045,0.723
MMO,HCD1,5,2.688,3.066,2.870,0.178
MMO,HCD2,3,2.664,3.066,2.863,0.201
MMO,HCG1,5,0.607,1.512,0.957,0.409
MMO,HCG2,3,-0.441,1.332,0.381,0.893
MMO,HE,3,6.802,6.977,6.879,0.089
MMO,N,3,2.056,2.896,2.565,0.447
MMO,NE,2,119.704,119.795,119.750,0.064
MNV,H,1,2.18,2.18,2.180,
MNV,HA,1,3.53,3.53,3.530,
MNV,HB,1,2.12,2.12,2.120,
MNV,HG11,1,0.93,0.93,0.930,
MNV,HG12,1,0.93,0.93,0.930,
MNV,HG13,1,0.93,0.93,0.930,
MNV,HG21,1,1.00,1.00,1.000,
MNV,HG22,1,1.00,1.00,1.000,
MNV,HG23,1,1.00,1.00,1.000,
MOZ,H61,2,1.451,1.532,1.492,0.057
MOZ,H62,2,1.451,1.532,1.492,0.057
MOZ,H63,2,1.451,1.532,1.492,0.057
MQC,H1,1,8.726,8.726,8.726,
MQC,H15,1,2.483,2.483,2.483,
MQC,H16,1,2.483,2.483,2.483,
MQC,H17,1,2.483,2.483,2.483,
MQC,H18,1,3.830,3.830,3.830,
MQC,H19,1,3.830,3.830,3.830,
MQC,H2,1,8.055,8.055,8.055,
MQC,H20,1,3.830,3.830,3.830,
MQC,H3,1,7.761,7.761,7.761,
MQC,H4,1,6.752,6.752,6.752,
MQC,H5,1,6.919,6.919,6.919,
MQC,H6,1,6.919,6.919,6.919,
MQC,H7,1,7.403,7.403,7.403,
MQC,H8,1,6.919,6.919,6.919,
MSE,C,2,176.571,177.174,176.873,0.426
MSE,CA,2,58.948,61.052,60.000,1.488
MSE,CB,2,33.570,34.365,33.968,0.562
MSE,H,2,8.268,9.022,8.645,0.533
MSE,N,2,117.717,122.865,120.291,3.640
MU,H1',10,5.667,5.889,5.752,0.089
MU,H3,8,12.889,13.804,13.380,0.319
MU,H5,10,5.025,5.754,5.330,0.295
MU,H6,10,7.531,8.078,7.763,0.186
MU,HM'1,10,3.362,3.690,3.607,0.121
MU,HM'2,10,3.362,3.690,3.607,0.121
MU,HM'3,10,3.362,3.690,3.607,0.121
MUB,C1,1,97.91,97.91,97.910,
MUB,C10,1,178.4,178.4,178.400,
MUB,C11,1,21.59,21.59,21.590,
MUB,C2,1,56.52,56.52,56.520,
MUB,C3,1,81.47,81.47,81.470,
MUB,C4,1,73.24,73.24,73.240,
MUB,C5,1,76.11,76.11,76.110,
MUB,C6,1,62.43,62.43,62.430,
MUB,C7,1,176.51,176.51,176.510,
MUB,C8,1,25.47,25.47,25.470,
MUB,C9,1,81.27,81.27,81.270,
MUB,H1,1,5.221,5.221,5.221,
MUB,H111,1,1.117,1.117,1.117,
MUB,H112,1,1.117,1.117,1.117,
MUB,H113,1,1.117,1.117,1.117,
MUB,H2,1,3.660,3.660,3.660,
MUB,H3,1,3.456,3.456,3.456,
MUB,H4,1,4.054,4.054,4.054,
MUB,H5,1,3.945,3.945,3.945,
MUB,H61,1,3.601,3.601,3.601,
MUB,H62,1,3.377,3.377,3.377,
MUB,H81,1,1.837,1.837,1.837,
MUB,H82,1,1.837,1.837,1.837,
MUB,H83,1,1.837,1.837,1.837,
MVA,C,4,173.4,173.9,173.625,0.206
MVA,CA,4,57.8,58.1,57.930,0.125
MVA,CB,4,27.78,29.3,28.770,0.680
MVA,CG1,3,18.7,18.8,18.767,0.058
MVA,CG2,3,20.2,20.4,20.267,0.115
MVA,CN,4,29.07,29.9,29.643,0.385
MVA,HA,8,4.919,5.204,5.104,0.092
MVA,HB,8,2.066,2.173,2.138,0.035
MVA,HG11,6,0.340,1.02,0.814,0.258
MVA,HG12,4,0.879,1.02,0.960,0.061
MVA,HG13,6,0.610,1.02,0.865,0.160
MVA,HG21,8,0.588,0.854,0.779,0.090
MVA,HG22,4,0.81,0.854,0.836,0.019
MVA,HG23,4,0.81,0.854,0.836,0.019
MVA,HN1,8,2.656,3.333,2.976,0.309
MVA,HN2,4,2.656,2.705,2.692,0.024
MVA,HN3,4,2.656,2.705,2.692,0.024
MYR,C,1,178.1,178.1,178.100,
MYR,C1,1,178.319,178.319,178.319,
MYR,C10,8,31.132,32.966,31.670,0.657
MYR,C11,8,31.132,32.774,31.521,0.524
MYR,C12,8,33.265,35.062,33.844,0.622
MYR,C13,8,24.002,25.909,24.578,0.716
MYR,C14,8,15.880,17.1,16.187,0.460
MYR,C2,8,37.150,38.00,37.421,0.280
MYR,C3,8,27.150,27.5,27.330,0.124
MYR,C4,8,31.030,31.7,31.179,0.224
MYR,C5,8,31.132,32.601,31.587,0.507
MYR,C6,8,31.132,32.633,31.628,0.567
MYR,C7,7,31.132,32.8,31.542,0.573
MYR,C8,7,31.132,32.1,31.442,0.323
MYR,C9,8,31.132,32.8,31.634,0.591
MYR,H101,9,0.979,1.35,1.097,0.111
MYR,H102,10,0.722,1.35,1.060,0.159
MYR,H103,1,0.722,0.722,0.722,
MYR,H111,9,0.77,1.140,1.033,0.115
MYR,H112,10,0.91,1.140,1.038,0.081
MYR,H113,1,0.947,0.947,0.947,
MYR,H121,10,0.94,1.14,1.002,0.054
MYR,H122,10,0.944,1.14,1.000,0.060
MYR,H123,1,1.008,1.008,1.008,
MYR,H131,9,0.900,1.28,1.000,0.137
MYR,H132,10,0.900,1.28,1.008,0.131
MYR,H133,1,1.077,1.077,1.077,
MYR,H141,10,0.320,0.95,0.618,0.175
MYR,H142,10,0.320,0.95,0.623,0.175
MYR,H143,11,0.320,0.95,0.625,0.166
MYR,H21,9,1.939,2.27,2.140,0.118
MYR,H22,10,1.86,2.27,2.146,0.119
MYR,H23,1,2.685,2.685,2.685,
MYR,H31,10,1.0084,1.55,1.397,0.153
MYR,H32,10,1.26,1.53,1.397,0.085
MYR,H33,1,1.759,1.759,1.759,
MYR,H41,9,0.979,1.21,1.102,0.068
MYR,H42,10,0.78,1.21,1.081,0.123
MYR,H43,1,1.159,1.159,1.159,
MYR,H51,10,0.979,1.16,1.071,0.067
MYR,H52,10,0.979,1.19,1.076,0.075
MYR,H53,1,1.292,1.292,1.292,
MYR,H61,9,0.979,1.35,1.097,0.111
MYR,H62,10,0.791,1.35,1.067,0.143
MYR,H63,1,0.791,0.791,0.791,
MYR,H71,9,0.979,1.35,1.097,0.111
MYR,H72,9,0.979,1.35,1.097,0.111
MYR,H81,9,0.979,1.140,1.069,0.059
MYR,H82,9,0.979,1.140,1.069,0.059
MYR,H91,9,0.979,1.35,1.097,0.111
MYR,H92,10,0.464,1.35,1.034,0.226
MYR,H93,1,0.648,0.648,0.648,
N,H1',1,5.454,5.454,5.454,
N,H2',1,4.347,4.347,4.347,
N,H3',1,4.391,4.391,4.391,
N,H4',1,4.320,4.320,4.320,
N,H5'',1,4.101,4.101,4.101,
N,H6,1,8.704,8.704,8.704,
N,H7,1,9.541,9.541,9.541,
N4S,H1',1,6.09,6.09,6.090,
N4S,H2',1,2.06,2.06,2.060,
N4S,H2'',1,2.52,2.52,2.520,
N4S,H3',1,4.84,4.84,4.840,
N4S,H4',1,4.16,4.16,4.160,
N4S,H41,1,8.47,8.47,8.470,
N4S,H5,1,5.38,5.38,5.380,
N4S,H5',1,4.27,4.27,4.270,
N4S,H5'',1,4.06,4.06,4.060,
N4S,H6,1,7.58,7.58,7.580,
N4S,HA1,1,2.67,2.67,2.670,
N4S,HA2,1,1.99,1.99,1.990,
N4S,HB1,1,1.72,1.72,1.720,
N4S,HB2,1,1.62,1.62,1.620,
N4S,HC1,1,3.10,3.10,3.100,
N4S,HC2,1,2.91,2.91,2.910,
N4S,HE1,1,1.85,1.85,1.850,
N4S,P,1,-1.04,-1.04,-1.040,
NAG,C,7,56.460,176.500,107.906,64.164
NAG,C1,13,81.49,103.939,99.572,7.632
NAG,C1',7,72.700,100.760,92.743,13.692
NAG,C2,12,56.14,67.971,58.892,2.977
NAG,C2',7,56.460,73.970,61.463,8.544
NAG,C3,11,72.94,77.672,76.273,1.501
NAG,C3',7,4.950,74.470,54.607,33.922
NAG,C4,12,72.44,80.17,75.030,2.161
NAG,C4',7,3.890,72.700,53.040,33.576
NAG,C5,14,75.44,80.20,77.995,1.482
NAG,C5',7,3.750,73.970,53.907,34.264
NAG,C6,13,60.69,64.384,62.646,1.403
NAG,C7,5,176.51,177.393,177.084,0.388
NAG,C8,13,22.134,25.830,24.481,1.198
NAG,CC2,2,54.452,55.404,54.928,0.673
NAG,CC3,2,73.788,75.184,74.486,0.987
NAG,CC4,2,69.747,69.939,69.843,0.136
NAG,CH3,1,22.83,22.83,22.830,
NAG,H,2,8.36,8.41,8.385,0.035
NAG,H1,19,4.279,5.07,4.585,0.184
NAG,H1',7,3.444,4.950,4.520,0.735
NAG,H2,19,3.056,7.835,4.162,1.310
NAG,H2',7,3.750,3.890,3.850,0.068
NAG,H3,17,3.145,3.863,3.552,0.246
NAG,H3',7,3.750,176.500,53.107,84.293
NAG,H4,17,2.841,3.934,3.477,0.355
NAG,H4',7,3.444,25.140,9.643,10.587
NAG,H5,19,1.882,3.806,3.287,0.454
NAG,H5',7,3.750,100.760,59.184,51.854
NAG,H6,2,3.86,3.86,3.860,0.000
NAG,H61,17,2.552,3.974,3.673,0.390
NAG,H62,17,3.037,4.011,3.624,0.302
NAG,H8,2,1.984,2.02,2.002,0.025
NAG,H81,13,1.780,2.053,1.988,0.073
NAG,H82,13,1.780,2.053,1.988,0.073
NAG,H83,15,1.780,2.053,1.982,0.070
NAG,HC2,2,3.653,3.691,3.672,0.027
NAG,HC3,2,3.447,3.485,3.466,0.027
NAG,HC4,2,3.345,3.350,3.348,0.004
NAG,HN2,10,7.831,8.553,8.204,0.269
NAG,HO6,2,3.801,3.856,3.829,0.039
NAG,Me,7,25.140,74.470,53.329,26.368
NAG,N,1,122.92,122.92,122.920,
NAG,N2,3,121.530,129.64,125.256,4.095
NAG,NH2,1,8.189,8.189,8.189,
NAL,C10,1,58.007,58.007,58.007,
NAL,H,4,7.512,8.240,7.907,0.303
NAL,H1,4,7.547,9.022,7.991,0.692
NAL,H10,1,4.781,4.781,4.781,
NAL,H3,4,4.633,7.441,6.031,1.553
NAL,H4,4,3.318,7.797,5.557,2.562
NAL,H5,3,3.219,7.377,4.605,2.400
NAL,H6,3,7.358,7.714,7.513,0.182
NAL,H7,2,7.549,7.640,7.595,0.064
NAL,H8,2,7.754,7.882,7.818,0.091
NAL,H91,3,3.084,7.849,4.735,2.698
NAL,H92,3,3.255,7.437,4.655,2.409
NAL,HA,3,4.870,4.919,4.890,0.026
NAL,HB2,2,3.076,3.084,3.080,0.006
NAL,HB3,2,3.788,3.820,3.804,0.023
NAL,HD1,2,7.573,7.581,7.577,0.006
NAL,HD2,2,7.432,7.440,7.436,0.006
NAL,HE2,2,7.974,7.980,7.977,0.004
NAL,HH1,2,7.540,7.546,7.543,0.004
NAL,HH2,2,7.878,7.900,7.889,0.016
NAL,HP,2,7.510,7.518,7.514,0.006
NAL,HXT,1,7.430,7.430,7.430,
NAL,HZ1,2,7.847,7.860,7.854,0.009
NAM,C1,2,101.9,102.69,102.295,0.559
NAM,C2,2,55.4,56.7,56.050,0.919
NAM,C3,2,80.08,80.08,80.080,0.000
NAM,C4,2,75.62,76.09,75.855,0.332
NAM,C5,2,75.81,75.81,75.810,0.000
NAM,C6,2,61.06,61.89,61.475,0.587
NAM,C8,2,23.02,23.11,23.065,0.064
NAM,H,2,7.63,7.95,7.790,0.226
NAM,H1,2,4.33,4.47,4.400,0.099
NAM,H2,2,3.7,3.78,3.740,0.057
NAM,H3,2,3.56,3.6,3.580,0.028
NAM,H4,2,3.78,3.82,3.800,0.028
NAM,H5,2,3.43,3.47,3.450,0.028
NAM,H6,2,3.82,3.90,3.860,0.057
NAM,N,2,121.9,122.96,122.430,0.750
NAM_2,C11,1,22.326,22.326,22.326,
NAM_2,C2,1,56.135,56.135,56.135,
NAM_2,C3,1,75.881,75.881,75.881,
NAM_2,C4,1,75.416,75.416,75.416,
NAM_2,C8,1,26.135,26.135,26.135,
NAM_2,C9,1,79.997,79.997,79.997,
NAM_2,H1,1,4.931,4.931,4.931,
NAM_2,H111,1,1.297,1.297,1.297,
NAM_2,H112,1,1.297,1.297,1.297,
NAM_2,H113,1,1.297,1.297,1.297,
NAM_2,H2,1,3.862,3.862,3.862,
NAM_2,H3,1,3.613,3.613,3.613,
NAM_2,H4,1,3.714,3.714,3.714,
NAM_2,H81,1,1.813,1.813,1.813,
NAM_2,H82,1,1.813,1.813,1.813,
NAM_2,H83,1,1.813,1.813,1.813,
NAM_2,H9,1,4.133,4.133,4.133,
NAM_2,HN2,1,7.021,7.021,7.021,
NAP,1H14,1,3.546,3.546,3.546,
NAP,1H17,1,3.515,3.515,3.515,
NAP,1H20,1,3.558,3.558,3.558,
NAP,1H9,1,2.542,2.542,2.542,
NAP,1HN4,1,11.893,11.893,11.893,
NAP,1HN7,1,9.203,9.203,9.203,
NAP,2H14,1,3.546,3.546,3.546,
NAP,2H17,1,3.515,3.515,3.515,
NAP,2H20,1,3.558,3.558,3.558,
NAP,2H9,1,3.356,3.356,3.356,
NAP,2HN4,1,6.904,6.904,6.904,
NAP,3H14,1,3.546,3.546,3.546,
NAP,3H17,1,3.515,3.515,3.515,
NAP,3H20,1,3.558,3.558,3.558,
NAP,AH1*,1,6.748,6.748,6.748,
NAP,AH2,1,7.342,7.342,7.342,
NAP,AH2*,1,4.621,4.621,4.621,
NAP,AH3*,1,4.514,4.514,4.514,
NAP,AH4*,1,4.227,4.227,4.227,
NAP,AH51,1,4.066,4.066,4.066,
NAP,AH52,1,4.213,4.213,4.213,
NAP,AH61,1,6.506,6.506,6.506,
NAP,AH8,1,7.984,7.984,7.984,
NAP,H1,1,6.286,6.286,6.286,
NAP,H11,1,5.775,5.775,5.775,
NAP,H21,1,5.767,5.767,5.767,
NAP,NH1*,1,4.526,4.526,4.526,
NAP,NH2,1,7.300,7.300,7.300,
NAP,NH2*,1,3.533,3.533,3.533,
NAP,NH4*,1,3.612,3.612,3.612,
NAP,NH41,1,3.339,3.339,3.339,
NAP,NH42,1,3.463,3.463,3.463,
NAP,NH5,1,5.610,5.610,5.610,
NAP,NH51,1,3.682,3.682,3.682,
NAP,NH52,1,4.069,4.069,4.069,
NAP,NH6,1,6.778,6.778,6.778,
NAP,NH71,1,7.545,7.545,7.545,
NAP,NH72,1,8.418,8.418,8.418,
NAP,NHO3,1,6.410,6.410,6.410,
NAZ,H35,2,12.595,12.709,12.652,0.081
NAZ,H36,2,3.669,3.706,3.688,0.026
NAZ,H37,2,4.105,4.113,4.109,0.006
NAZ,H38,2,3.329,3.341,3.335,0.008
NAZ,H39,2,3.397,3.454,3.426,0.040
NAZ,H40,2,8.748,8.793,8.771,0.032
NAZ,H41,2,3.27,3.298,3.284,0.020
NAZ,H42,2,3.168,3.197,3.183,0.021
NAZ,H43,2,2.589,2.631,2.610,0.030
NAZ,H44,2,2.409,2.483,2.446,0.052
NAZ,H45,2,7.63,7.766,7.698,0.096
NAZ,H46,2,6.493,6.664,6.579,0.121
NAZ,H47,2,5.978,6.159,6.069,0.128
NAZ,H48,2,6.18,6.465,6.323,0.202
NAZ,H49,2,10.664,10.914,10.789,0.177
NAZ,H50,2,1.71,1.815,1.763,0.074
NAZ,H53,2,2.767,2.788,2.778,0.015
NAZ,H55,2,8.438,8.466,8.452,0.020
NAZ,H56,2,5.845,5.903,5.874,0.041
NAZ,H57,2,6.899,6.997,6.948,0.069
NAZ,H58,2,6.283,6.377,6.330,0.066
NAZ,H59,2,6.673,6.787,6.730,0.081
NCX,H1',1,5.75,5.75,5.750,
NCX,H2,1,7.40,7.40,7.400,
NCX,H2',1,2.35,2.35,2.350,
NCX,H2'',1,2.60,2.60,2.600,
NCX,H3,1,6.87,6.87,6.870,
NCX,H3',1,4.93,4.93,4.930,
NCX,H4',1,4.27,4.27,4.270,
NCX,H5',1,3.95,3.95,3.950,
NCX,H5'',1,4.09,4.09,4.090,
NCX,H6,1,7.92,7.92,7.920,
NCX,H8,1,7.96,7.96,7.960,
NCX,HH71,1,6.64,6.64,6.640,
NCX,HH72,1,7.44,7.44,7.440,
NCX,P,1,-4.19,-4.19,-4.190,
NDG,C1,1,99.152,99.152,99.152,
NDG,C2,1,56.252,56.252,56.252,
NDG,C3,1,72.537,72.537,72.537,
NDG,C4,1,80.598,80.598,80.598,
NDG,C5,1,62.515,62.515,62.515,
NDG,C6,1,73.342,73.342,73.342,
NDG,H1,1,4.819,4.819,4.819,
NDG,H2,1,3.953,3.953,3.953,
NDG,H3,1,3.841,3.841,3.841,
NDG,H4,1,3.610,3.610,3.610,
NDG,H5,1,3.907,3.907,3.907,
NDG,H6C1,1,3.842,3.842,3.842,
NDG,H6C2,1,3.842,3.842,3.842,
NDG,H8C1,1,2.042,2.042,2.042,
NDG,H8C2,1,2.042,2.042,2.042,
NDG,H8C3,1,2.042,2.042,2.042,
NDG,HA,1,8.101,8.101,8.101,
NDP,H1B,1,6.707,6.707,6.707,
NDP,H1D,1,4.521,4.521,4.521,
NDP,H21N,1,4.434,4.434,4.434,
NDP,H2A,1,4.569,4.569,4.569,
NDP,H2B,1,6.707,6.707,6.707,
NDP,H2N,1,7.353,7.353,7.353,
NDP,H3D,1,3.717,3.717,3.717,
NDP,H41N,1,3.389,3.389,3.389,
NDP,H42N,1,3.528,3.528,3.528,
NDP,H4B,1,4.160,4.160,4.160,
NDP,H4D,1,3.717,3.717,3.717,
NDP,H51A,1,4.208,4.208,4.208,
NDP,H51N,1,4.019,4.019,4.019,
NDP,H52A,1,4.058,4.058,4.058,
NDP,H52N,1,4.019,4.019,4.019,
NDP,H5N,1,5.724,5.724,5.724,
NDP,H61A,1,7.917,7.917,7.917,
NDP,H62A,1,8.082,8.082,8.082,
NDP,H6N,1,6.689,6.689,6.689,
NDP,H71N,1,8.766,8.766,8.766,
NDP,H72N,1,8.182,8.182,8.182,
NDP,H8A,1,7.968,7.968,7.968,
NDP,HO3A,1,4.511,4.511,4.511,
NDP,HO3N,1,4.444,4.444,4.444,
NDP,HOA2,1,7.332,7.332,7.332,
NEP,C,1,178.498,178.498,178.498,
NEP,CA,1,60.021,60.021,60.021,
NEP,CB,1,28.969,28.969,28.969,
NFA,CA,2,57.338,57.724,57.531,0.273
NFA,CB,2,39.452,39.898,39.675,0.315
NFA,CD1,1,131.545,131.545,131.545,
NFA,CD2,1,131.545,131.545,131.545,
NFA,CZ,1,128.498,128.498,128.498,
NFA,H,5,7.682,8.110,7.810,0.176
NFA,H2,1,1.752,1.752,1.752,
NFA,HA,5,4.515,4.65,4.569,0.067
NFA,HB2,5,2.703,3.43,3.109,0.329
NFA,HB3,5,2.82,3.279,2.976,0.183
NFA,HD1,4,6.97,7.354,7.199,0.184
NFA,HD2,3,7.257,7.354,7.317,0.053
NFA,HE1,4,7.206,7.50,7.327,0.133
NFA,HE2,1,7.206,7.206,7.206,
NFA,HZ,4,7.093,7.40,7.235,0.130
NFK,CA,4,52.428,52.500,52.464,0.042
NFK,CAF,4,167.760,198.706,183.247,17.850
NFK,CAG,4,137.659,138.355,137.993,0.377
NFK,CAH,4,127.635,127.665,127.650,0.017
NFK,CAI,4,120.458,125.434,122.959,2.832
NFK,CAJ,4,133.715,134.538,134.120,0.464
NFK,CB,4,43.771,43.774,43.773,0.002
NFK,CG,2,204.475,204.475,204.475,0.000
NFK,H10,4,7.678,7.683,7.681,0.003
NFK,H11,4,7.551,8.246,7.900,0.400
NFK,H13,4,8.387,8.890,8.638,0.290
NFK,H2,4,5.002,5.005,5.004,0.002
NFK,H6,4,3.706,3.711,3.709,0.003
NFK,H7,4,3.706,3.711,3.709,0.003
NFK,H8,4,8.010,8.054,8.032,0.024
NFK,H9,4,7.364,7.375,7.370,0.005
NGH,H1,1,4.210,4.210,4.210,
NGH,H101,1,6.633,6.633,6.633,
NGH,H102,1,7.500,7.500,7.500,
NGH,H131,1,0.928,0.928,0.928,
NGH,H132,1,0.928,0.928,0.928,
NGH,H133,1,0.928,0.928,0.928,
NGH,H141,1,0.928,0.928,0.928,
NGH,H142,1,0.928,0.928,0.928,
NGH,H143,1,0.928,0.928,0.928,
NGH,H2,1,4.516,4.516,4.516,
NGH,H4,1,3.543,3.543,3.543,
NGH,H5,1,2.170,2.170,2.170,
NGH,H71,1,3.790,3.790,3.790,
NGH,H72,1,3.790,3.790,3.790,
NGH,H73,1,3.790,3.790,3.790,
NGH,H91,1,7.500,7.500,7.500,
NGH,H92,1,6.633,6.633,6.633,
NGH,HN1,1,11.418,11.418,11.418,
NH2,HC,1,7.22,7.22,7.220,
NH2,HN1,190,0.99,8.580,7.341,0.586
NH2,HN2,170,0.99,7.92,7.151,0.557
NH2,HT,1,7.77,7.77,7.770,
NH2,HT1,4,7.055,7.33,7.155,0.122
NH2,HT2,4,6.922,7.400,7.163,0.257
NH2,N,39,95.2,117.51,107.391,3.113
NH2,NE,1,107.7,107.7,107.700,
NH2,NH1,1,7.274,7.274,7.274,
NH2,NH2,1,6.984,6.984,6.984,
NH2,NT,2,106.580,106.625,106.603,0.032
NLE,CA,20,47.7,60.66,51.581,2.694
NLE,H,45,6.41,9.35,8.299,0.672
NLE,HA,48,3.736,5.124,4.433,0.429
NLE,HB2,45,1.410,2.143,1.674,0.161
NLE,HB3,25,1.334,2.143,1.686,0.200
NLE,HD2,41,0.358,1.830,1.210,0.279
NLE,HD3,18,0.66,1.415,1.168,0.213
NLE,HE1,35,0.159,0.931,0.772,0.198
NLE,HE2,17,0.159,0.931,0.689,0.259
NLE,HE3,17,0.159,0.931,0.689,0.259
NLE,HG2,42,0.577,1.95,1.430,0.343
NLE,HG3,21,0.695,1.634,1.216,0.280
NLE,HN,3,7.876,7.977,7.920,0.052
NLE,N,1,132.41,132.41,132.410,
NLE,QD,5,1.195,1.204,1.201,0.003
NLE,QE,5,0.795,0.806,0.799,0.005
NLE,QG,3,1.099,1.138,1.119,0.020
NLG,H2,1,8.46,8.46,8.460,
NLG,HA,1,4.15,4.15,4.150,
NLG,HBC1,1,2.13,2.13,2.130,
NLG,HBC2,1,2.05,2.05,2.050,
NLG,HGC1,1,2.42,2.42,2.420,
NLG,HGC2,1,2.42,2.42,2.420,
NLQ,H,1,8.52,8.52,8.520,
NLQ,HA,1,4.34,4.34,4.340,
NLQ,HB2,1,1.96,1.96,1.960,
NLQ,HB3,1,2.09,2.09,2.090,
NLQ,HE21,1,7.68,7.68,7.680,
NLQ,HE22,1,7.68,7.68,7.680,
NLQ,HG2,1,2.38,2.38,2.380,
NLQ,HG3,1,2.38,2.38,2.380,
NLW,C,1,182.4,182.4,182.400,
NLW,CA,2,54.97,55.9,55.435,0.658
NLW,CB,1,44.5,44.5,44.500,
NLW,CD1,1,24.3,24.3,24.300,
NLW,CD2,1,23.3,23.3,23.300,
NLW,CG,1,27.1,27.1,27.100,
NLW,H,8,7.71,8.29,8.017,0.230
NLW,HA,8,4.15,4.450,4.300,0.092
NLW,HB2,7,1.48,1.737,1.610,0.082
NLW,HB3,6,1.48,2.033,1.701,0.210
NLW,HD1,6,0.77,0.990,0.872,0.076
NLW,HD11,1,0.90,0.90,0.900,
NLW,HD12,1,0.90,0.90,0.900,
NLW,HD13,1,0.90,0.90,0.900,
NLW,HD2,6,0.75,0.990,0.882,0.080
NLW,HD21,1,0.86,0.86,0.860,
NLW,HD22,1,0.86,0.86,0.860,
NLW,HD23,1,0.86,0.86,0.860,
NLW,HG,6,1.43,2.006,1.608,0.213
NLW,HT1,4,7.15,7.22,7.187,0.029
NLW,HT2,4,6.97,8.60,7.774,0.677
NLW,N,2,115.0,125.43,120.215,7.375
NLW,N2,1,106.0,106.0,106.000,
NLW,NT,1,108.04,108.04,108.040,
NMeTRP,HA,1,4.045,4.045,4.045,
NMeTRP,HB2,1,3.154,3.154,3.154,
NMeTRP,HB3,1,3.154,3.154,3.154,
NMeTRP,HD1,1,7.054,7.054,7.054,
NMeTRP,HE1,1,10.849,10.849,10.849,
NMeTRP,HE3,1,7.415,7.415,7.415,
NMeTRP,HM1,1,2.697,2.697,2.697,
NMeTRP,HM2,1,2.697,2.697,2.697,
NMeTRP,HM3,1,2.697,2.697,2.697,
NMeTRP,HZ2,1,7.263,7.263,7.263,
NO1,HB1C,1,2.380,2.380,2.380,
NO1,HB2C,1,2.380,2.380,2.380,
NO1,HB3C,1,2.380,2.380,2.380,
NO1,HE1,1,10.902,10.902,10.902,
NO1,HF1C,1,4.307,4.307,4.307,
NO1,HF2C,1,4.307,4.307,4.307,
NO1,HH2,1,7.095,7.095,7.095,
NO1,HZ2,1,7.973,7.973,7.973,
NO1,HZ3,1,5.769,5.769,5.769,
NP1,HA1,1,3.123,3.123,3.123,
NP1,HA2,1,3.123,3.123,3.123,
NP1,HB1,1,2.083,2.083,2.083,
NP1,HB2,1,2.083,2.083,2.083,
NP1,HE1,1,6.988,6.988,6.988,
NP1,HG1,1,3.577,3.577,3.577,
NP1,HG2,1,3.577,3.577,3.577,
NPP,HA1,1,3.138,3.138,3.138,
NPP,HB1,1,2.090,2.090,2.090,
NPP,HE1,1,7.089,7.089,7.089,
NPP,HG1,1,3.563,3.563,3.563,
NPP,HR1,1,7.603,7.603,7.603,
NPP,HR2,1,8.169,8.169,8.169,
NPP,HZ,1,6.781,6.781,6.781,
NT,H11,1,6.599,6.599,6.599,
NT,H13,1,7.668,7.668,7.668,
NT,H141,1,3.956,3.956,3.956,
NT,H142,1,3.956,3.956,3.956,
NT,H143,1,3.956,3.956,3.956,
NT,H161,1,2.559,2.559,2.559,
NT,H162,1,2.851,2.851,2.851,
NT,H171,1,3.557,3.557,3.557,
NT,H172,1,3.721,3.721,3.721,
NT,H21,1,4.004,4.004,4.004,
NT,H22,1,4.092,4.092,4.092,
NT,H5,1,6.702,6.702,6.702,
NT,H7,1,7.486,7.486,7.486,
NT,H81,1,4.021,4.021,4.021,
NT,H82,1,4.021,4.021,4.021,
NT,H83,1,4.021,4.021,4.021,
NT,HN01,1,8.442,8.442,8.442,
NT,HN02,1,8.442,8.442,8.442,
NT,HN10,1,8.442,8.442,8.442,
NT,HN4,1,8.919,8.919,8.919,
NT,HN6,1,9.284,9.284,9.284,
NT,HN8,1,8.919,8.919,8.919,
NT,HN9,1,8.442,8.442,8.442,
NVA,CA,2,36.96,55.123,46.042,12.843
NVA,CB,4,1.872,42.05,27.072,17.432
NVA,CD,3,52.583,59.26,54.813,3.851
NVA,CG,1,55.33,55.33,55.330,
NVA,H,5,7.839,8.438,8.037,0.236
NVA,HA,4,3.565,4.585,4.248,0.468
NVA,HB2,4,0.986,3.07,1.909,0.863
NVA,HB3,4,1.473,3.28,2.025,0.855
NVA,HD1,2,1.81,4.793,3.302,2.109
NVA,HD2,4,1.81,4.409,3.743,1.289
NVA,HD3,4,1.81,4.291,3.650,1.227
NVA,HG2,5,1.47,2.230,1.933,0.379
NVA,HG3,4,1.347,2.030,1.705,0.309
NVA,N,1,115.86,115.86,115.860,
OHO,C,4,177.40,177.50,177.450,0.058
OHO,CA,4,55.20,55.30,55.250,0.058
OHO,CB,4,28.20,28.20,28.200,0.000
OHO,CD,4,51.30,52.30,51.800,0.577
OHO,CG,4,23.80,26.10,24.950,1.328
OHO,H,4,7.61,8.61,8.110,0.577
OHO,HA,4,4.29,4.30,4.295,0.006
OHO,HB2,4,1.77,1.92,1.845,0.087
OHO,HB3,4,1.77,1.92,1.845,0.087
OHO,HD2,4,3.67,3.68,3.675,0.006
OHO,HD3,4,3.62,3.62,3.620,0.000
OHO,HG2,4,1.40,2.00,1.700,0.346
OHO,HG3,4,1.40,1.42,1.410,0.012
OHO,HZ,4,7.88,7.90,7.890,0.012
OHO,N,2,117.64,117.64,117.640,0.000
OIA,C,2,176.200,176.300,176.250,0.071
OIA,CA,4,53.448,53.906,53.684,0.227
OIA,CB,4,33.026,33.407,33.214,0.170
OIA,CD1,3,184.100,184.400,184.267,0.153
OIA,CD2,4,130.600,131.600,131.075,0.550
OIA,CE2,3,144.200,144.300,144.267,0.058
OIA,CE3,2,127.017,127.030,127.024,0.009
OIA,CH2,2,131.239,131.247,131.243,0.006
OIA,CZ2,4,113.225,113.401,113.304,0.079
OIA,CZ3,2,125.639,125.650,125.645,0.008
OIA,HA,4,4.396,4.632,4.516,0.126
OIA,HB2,4,2.472,2.645,2.558,0.089
OIA,HB3,4,2.438,2.516,2.478,0.042
OIA,HE3,2,7.344,7.349,7.347,0.004
OIA,HG,4,3.746,3.771,3.759,0.011
OIA,HH2,2,7.316,7.316,7.316,0.000
OIA,HZ2,4,6.992,7.021,7.007,0.016
OIA,HZ3,4,7.150,7.161,7.155,0.005
OLA,C10,2,133.713,133.713,133.713,0.000
OLA,C18,2,17.312,17.312,17.312,0.000
OLA,C2,2,41.008,41.008,41.008,0.000
OLA,C8,2,29.568,29.568,29.568,0.000
OLA,H10,2,5.162,5.167,5.165,0.004
OLA,H111,2,1.838,1.838,1.838,0.000
OLA,H112,2,1.838,1.838,1.838,0.000
OLA,H161,2,0.910,0.910,0.910,0.000
OLA,H181,2,0.832,0.832,0.832,0.000
OLA,H182,2,0.832,0.832,0.832,0.000
OLA,H183,2,0.832,0.832,0.832,0.000
OLA,H21,2,1.838,1.838,1.838,0.000
OLA,H22,2,1.838,1.838,1.838,0.000
OLA,H81,2,1.832,1.836,1.834,0.003
OLA,H82,2,1.832,1.835,1.834,0.002
OLA,H9,2,5.155,5.167,5.161,0.008
OMC,H1',2,5.538,5.610,5.574,0.051
OMC,H2',2,4.285,4.291,4.288,0.004
OMC,H3',2,4.389,4.429,4.409,0.028
OMC,H4',2,3.826,3.842,3.834,0.011
OMC,H5,2,5.326,5.391,5.359,0.046
OMC,H6,2,7.555,7.558,7.557,0.002
OMC,HM21,2,3.647,3.653,3.650,0.004
OMC,HN41,1,6.89,6.89,6.890,
OMC,HN42,1,7.28,7.28,7.280,
OMG,C1',4,88.712,89.785,89.154,0.478
OMG,C2',3,83.575,83.932,83.707,0.196
OMG,C8,4,136.039,137.960,136.916,0.917
OMG,H1,4,10.624,13.269,12.301,1.155
OMG,H1',7,5.552,9.257,6.206,1.348
OMG,H2',6,4.078,4.485,4.341,0.178
OMG,H21,2,8.017,8.529,8.273,0.362
OMG,H22,3,6.242,6.736,6.480,0.247
OMG,H3',3,4.424,4.819,4.652,0.204
OMG,H4',2,4.011,4.297,4.154,0.202
OMG,H5',2,3.892,4.063,3.978,0.121
OMG,H5'',3,3.750,4.011,3.920,0.148
OMG,H8,6,7.082,8.191,7.655,0.467
OMG,HM2*,4,3.703,3.789,3.732,0.039
OMG,HM21,2,3.356,3.390,3.373,0.024
OMG,N1,1,145.320,145.320,145.320,
OMT,CA,2,54.830,54.884,54.857,0.038
OMT,CB,2,26.488,26.492,26.490,0.003
OMT,CE,2,42.424,42.436,42.430,0.008
OMT,CG,2,52.938,52.950,52.944,0.008
OMT,HA,2,4.581,4.587,4.584,0.004
OMT,HB2,2,2.405,2.414,2.410,0.006
OMT,HB3,2,2.233,2.242,2.238,0.006
OMT,HE,2,3.121,3.130,3.126,0.006
OMT,HG,2,3.330,3.338,3.334,0.006
ONH,H,2,8.45,8.45,8.450,0.000
ONH,HA,2,4.32,4.68,4.500,0.255
ONH,HB2,2,1.87,2.06,1.965,0.134
ONH,HB3,2,1.65,1.66,1.655,0.007
ONH,HD2,2,3.47,3.54,3.505,0.049
ONH,HD3,1,3.48,3.48,3.480,
ONH,HG2,2,1.82,1.90,1.860,0.057
ONH,HG3,2,1.77,1.84,1.805,0.049
ORN,CA,5,55.320,57.370,56.052,0.774
ORN,CB,4,30.68,32.430,31.380,0.857
ORN,CD,3,2.950,41.79,28.843,22.424
ORN,CG,2,26.13,26.13,26.130,0.000
ORN,H,13,7.859,8.63,8.241,0.255
ORN,H1,1,7.28,7.28,7.280,
ORN,HA,15,3.976,4.892,4.359,0.223
ORN,HB2,14,1.58,1.90,1.774,0.104
ORN,HB3,14,1.430,1.938,1.745,0.139
ORN,HD,1,3.00,3.00,3.000,
ORN,HD2,12,2.559,3.395,2.955,0.222
ORN,HD3,9,2.702,3.491,2.993,0.277
ORN,HE1,4,7.057,7.778,7.458,0.341
ORN,HE2,1,7.294,7.294,7.294,
ORN,HE3,1,7.294,7.294,7.294,
ORN,HG,1,1.71,1.71,1.710,
ORN,HG2,13,1.440,1.865,1.628,0.129
ORN,HG3,10,1.251,1.933,1.622,0.195
ORN,HNE2,1,7.66,7.66,7.660,
ORN,HNE3,1,7.66,7.66,7.660,
ORN,HZ,2,7.69,7.69,7.690,0.000
ORN,N,3,119.246,125.0,121.795,2.932
ORN,NH2,1,109.45,109.45,109.450,
ORN,QB,1,1.740,1.740,1.740,
ORN,QG,1,1.612,1.612,1.612,
ORP,H1,4,5.62,5.65,5.635,0.013
ORP,H21,4,1.95,2.26,2.098,0.160
ORP,H22,4,1.95,2.26,2.105,0.173
ORP,H3,4,4.60,4.63,4.615,0.013
ORP,H4,4,4.48,4.49,4.485,0.006
ORP,H5,4,4.515,4.632,4.592,0.055
ORP,H6,4,2.113,2.489,2.234,0.177
ORP,H7,4,1.85,2.051,1.925,0.096
ORP,H8,4,5.222,5.583,5.374,0.181
ORP,P,4,-2.79,-2.74,-2.765,0.029
OUD,CA,1,54.890,54.890,54.890,
OUD,CB,1,40.320,40.320,40.320,
OUD,CM,1,45.360,45.360,45.360,
OUD,H1,1,7.910,7.910,7.910,
OUD,HA,1,4.280,4.280,4.280,
OUD,HB2,1,2.600,2.600,2.600,
OUD,HB3,1,2.320,2.320,2.320,
OUD,HM2,1,3.470,3.470,3.470,
OUD,HM3,1,3.470,3.470,3.470,
OUD,HN2,1,6.550,6.550,6.550,
OUD,N,1,123.150,123.150,123.150,
OUD,N2,1,78.260,78.260,78.260,
OUE,CA,1,60.320,60.320,60.320,
OUE,CB,1,30.400,30.400,30.400,
OUE,CM,1,45.730,45.730,45.730,
OUE,H,1,5.960,5.960,5.960,
OUE,HA,1,3.360,3.360,3.360,
OUE,HB2,1,1.200,1.200,1.200,
OUE,HB3,1,1.140,1.140,1.140,
OUE,HG2,1,1.350,1.350,1.350,
OUE,HG3,1,1.350,1.350,1.350,
OUE,HM2,1,3.680,3.680,3.680,
OUE,HM3,1,3.680,3.680,3.680,
OUE,HN2,1,6.020,6.020,6.020,
OUE,N,1,98.000,98.000,98.000,
OUE,N2,1,79.120,79.120,79.120,
OUH,CA,2,51.670,51.680,51.675,0.007
OUH,CB,2,29.160,29.640,29.400,0.339
OUH,CM,2,44.910,45.830,45.370,0.651
OUH,H,2,6.480,6.560,6.520,0.057
OUH,HA,2,3.640,3.690,3.665,0.035
OUH,HB2,2,2.570,2.670,2.620,0.071
OUH,HB3,2,2.450,2.540,2.495,0.064
OUH,HD1,2,6.650,7.130,6.890,0.339
OUH,HD2,2,6.650,7.130,6.890,0.339
OUH,HM2,2,2.820,3.730,3.275,0.643
OUH,HM3,2,2.820,3.730,3.275,0.643
OUH,HN2,1,5.940,5.940,5.940,
OUH,N,2,81.010,82.250,81.630,0.877
OUH,N2,1,91.720,91.720,91.720,
OUI,1HD1,1,0.850,0.850,0.850,
OUI,1HG2,1,1.070,1.070,1.070,
OUI,2HG1,1,1.460,1.460,1.460,
OUI,3HG1,1,1.420,1.420,1.420,
OUI,CA,1,55.020,55.020,55.020,
OUI,CB,1,40.330,40.330,40.330,
OUI,CD1,1,16.720,16.720,16.720,
OUI,CG1,1,26.670,26.670,26.670,
OUI,CG2,1,17.850,17.850,17.850,
OUI,CM,1,48.200,48.200,48.200,
OUI,H,1,5.910,5.910,5.910,
OUI,HA,1,3.400,3.400,3.400,
OUI,HB,1,2.220,2.220,2.220,
OUI,HM2,1,3.450,3.450,3.450,
OUI,HM3,1,3.450,3.450,3.450,
OUI,HN2,1,5.460,5.460,5.460,
OUI,N,1,93.160,93.160,93.160,
OUI,N2,1,75.990,75.990,75.990,
OUK,CA,2,52.300,62.100,57.200,6.930
OUK,CB,2,31.460,33.250,32.355,1.266
OUK,CM,2,44.370,45.710,45.040,0.948
OUK,H1,2,6.100,6.310,6.205,0.148
OUK,HA,2,3.370,3.590,3.480,0.156
OUK,HB2,2,1.590,2.550,2.070,0.679
OUK,HB3,2,1.500,2.490,1.995,0.700
OUK,HD2,2,1.640,2.430,2.035,0.559
OUK,HD3,2,1.640,2.430,2.035,0.559
OUK,HE2,2,2.670,3.370,3.020,0.495
OUK,HE3,2,2.670,3.370,3.020,0.495
OUK,HG2,2,1.340,2.220,1.780,0.622
OUK,HG3,2,1.340,2.220,1.780,0.622
OUK,HM2,2,3.540,3.770,3.655,0.163
OUK,HM3,2,3.540,3.770,3.655,0.163
OUK,HN2,2,6.010,6.310,6.160,0.212
OUK,N,2,79.210,93.060,86.135,9.793
OUK,N2,2,80.900,94.170,87.535,9.383
OUR,CA,1,55.760,55.760,55.760,
OUR,CB,1,29.820,29.820,29.820,
OUR,CM,1,42.110,42.110,42.110,
OUR,H,1,6.590,6.590,6.590,
OUR,HA,1,4.080,4.080,4.080,
OUR,HB2,1,1.760,1.760,1.760,
OUR,HB3,1,1.680,1.680,1.680,
OUR,HD2,1,3.140,3.140,3.140,
OUR,HD3,1,3.150,3.150,3.150,
OUR,HG2,1,1.560,1.560,1.560,
OUR,HG3,1,1.570,1.570,1.570,
OUR,HM2,1,4.080,4.080,4.080,
OUR,HM3,1,4.080,4.080,4.080,
OUR,HN2,1,6.520,6.520,6.520,
OUR,N,1,88.300,88.300,88.300,
OUR,N2,1,88.270,88.270,88.270,
P11,H10,1,7.77,7.77,7.770,
P11,H10N,1,11.14,11.14,11.140,
P11,H111,1,4.03,4.03,4.030,
P11,H112,1,4.03,4.03,4.030,
P11,H113,1,4.03,4.03,4.030,
P11,H11N,1,9.26,9.26,9.260,
P11,H131,1,2.91,2.91,2.910,
P11,H132,1,2.94,2.94,2.940,
P11,H141,1,3.70,3.70,3.700,
P11,H142,1,4.01,4.01,4.010,
P11,H14N,1,8.08,8.08,8.080,
P11,H16N,1,8.66,8.66,8.660,
P11,H171,1,4.12,4.12,4.120,
P11,H172,1,4.12,4.12,4.120,
P11,H173,1,4.12,4.12,4.120,
P11,H17N,1,8.66,8.66,8.660,
P11,H19,1,7.62,7.62,7.620,
P11,H211,1,2.56,2.56,2.560,
P11,H212,1,3.04,3.04,3.040,
P11,H221,1,3.61,3.61,3.610,
P11,H222,1,4.13,4.13,4.130,
P11,H251,1,4.14,4.14,4.140,
P11,H252,1,4.14,4.14,4.140,
P11,H253,1,4.14,4.14,4.140,
P11,H27,1,7.73,7.73,7.730,
P11,H30,1,6.46,6.46,6.460,
P11,H31,1,4.12,4.12,4.120,
P11,H32,1,4.12,4.12,4.120,
P11,H33,1,4.12,4.12,4.120,
P11,H331,1,3.94,3.94,3.940,
P11,H332,1,3.94,3.94,3.940,
P11,H333,1,3.94,3.94,3.940,
P11,H351,1,2.42,2.42,2.420,
P11,H352,1,2.65,2.65,2.650,
P11,H361,1,3.43,3.43,3.430,
P11,H362,1,3.53,3.53,3.530,
P11,H371,1,3.12,3.12,3.120,
P11,H372,1,3.38,3.38,3.380,
P11,H381,1,1.94,1.94,1.940,
P11,H382,1,1.94,1.94,1.940,
P11,H391,1,3.12,3.12,3.120,
P11,H392,1,3.18,3.18,3.180,
P11,H4,1,7.21,7.21,7.210,
P11,H401,1,2.90,2.90,2.900,
P11,H402,1,2.90,2.90,2.900,
P11,H403,1,2.90,2.90,2.900,
P11,H411,1,2.90,2.90,2.900,
P11,H412,1,2.90,2.90,2.900,
P11,H413,1,2.90,2.90,2.900,
P11,H5,1,7.33,7.33,7.330,
P11,H8,1,6.77,6.77,6.770,
P11,HN1,1,9.65,9.65,9.650,
P11,HN4,1,8.24,8.24,8.240,
P11,HN6,1,9.87,9.87,9.870,
P11,HN7,1,8.35,8.35,8.350,
P5P,H1',5,5.99,6.16,6.074,0.083
P5P,H2,5,8.13,8.97,8.566,0.319
P5P,H2',5,4.17,4.82,4.592,0.247
P5P,H3',5,4.33,4.86,4.674,0.216
P5P,H4',5,4.24,4.67,4.430,0.207
P5P,H5',4,4.39,4.59,4.513,0.087
P5P,H5'',4,4.03,4.3,4.225,0.130
P5P,H5'1,1,4.44,4.44,4.440,
P5P,H5'2,1,4.10,4.10,4.100,
P5P,H6,5,8.65,9.03,8.886,0.155
P5P,H8,5,8.4,8.64,8.506,0.098
P5P,P,5,-2.1,0.38,-1.358,1.033
PAM,H21,2,1.631,1.916,1.774,0.202
PAM,H31,2,0.864,0.879,0.872,0.011
PAM,H32,2,0.864,0.879,0.872,0.011
PAM,H41,1,0.887,0.887,0.887,
PAM,H42,1,0.887,0.887,0.887,
PAM,H51,1,0.856,0.856,0.856,
PAM,H52,1,0.856,0.856,0.856,
PAM,H61,2,0.877,0.881,0.879,0.003
PAM,H62,2,0.877,0.881,0.879,0.003
PAM,H71,2,0.867,0.870,0.869,0.002
PAM,H72,2,0.867,0.870,0.869,0.002
PAM,H81,1,0.875,0.875,0.875,
PAM,H82,1,0.875,0.875,0.875,
PAM,H91,1,0.866,0.866,0.866,
PAM,H92,1,0.866,0.866,0.866,
PAM,HA1,2,0.856,0.858,0.857,0.001
PAM,HA2,2,0.856,0.858,0.857,0.001
PAM,HB1,2,0.862,0.895,0.879,0.023
PAM,HB2,2,0.862,0.895,0.879,0.023
PAM,HC1,2,0.862,0.870,0.866,0.006
PAM,HC2,2,0.862,0.870,0.866,0.006
PAM,HD1,2,0.866,0.884,0.875,0.013
PAM,HD2,2,0.866,0.884,0.875,0.013
PAM,HE1,1,0.871,0.871,0.871,
PAM,HE2,1,0.871,0.871,0.871,
PAM,HF1,2,0.885,0.886,0.886,0.001
PAM,HF2,2,0.885,0.886,0.886,0.001
PAM,HG1,2,0.555,0.592,0.574,0.026
PAM,HG2,2,0.555,0.592,0.574,0.026
PAM,HG3,2,0.555,0.592,0.574,0.026
PAR,H11,2,5.092,5.293,5.193,0.142
PAR,H12,2,2.753,3.076,2.915,0.228
PAR,H13,2,4.021,4.213,4.117,0.136
PAR,H14,2,2.513,2.808,2.661,0.209
PAR,H15,2,3.242,3.434,3.338,0.136
PAR,H161,2,3.364,3.767,3.566,0.285
PAR,H162,2,3.092,3.541,3.317,0.317
PAR,H21,2,2.896,3.159,3.028,0.186
PAR,H211,1,7.128,7.128,7.128,
PAR,H212,1,7.128,7.128,7.128,
PAR,H213,1,7.128,7.128,7.128,
PAR,H221,2,1.327,1.581,1.454,0.180
PAR,H222,2,1.747,1.952,1.850,0.145
PAR,H23,2,2.553,2.792,2.673,0.169
PAR,H231,1,8.081,8.081,8.081,
PAR,H232,1,8.081,8.081,8.081,
PAR,H233,1,8.081,8.081,8.081,
PAR,H24,2,3.550,3.750,3.650,0.141
PAR,H25,2,3.591,3.818,3.705,0.161
PAR,H26,2,3.446,3.687,3.567,0.170
PAR,H31,2,5.335,5.499,5.417,0.116
PAR,H32,2,3.398,3.821,3.610,0.299
PAR,H33,2,4.125,4.406,4.266,0.199
PAR,H34,2,3.748,3.987,3.868,0.169
PAR,H351,2,4.125,4.476,4.301,0.248
PAR,H352,2,3.307,3.502,3.405,0.138
PAR,H41,2,5.242,5.510,5.376,0.190
PAR,H42,1,3.646,3.646,3.646,
PAR,H43,2,3.803,4.331,4.067,0.373
PAR,H44,1,3.966,3.966,3.966,
PAR,H45,2,3.827,4.544,4.186,0.507
PAR,H461,1,3.530,3.530,3.530,
PAR,H462,1,4.388,4.388,4.388,
PAR,HO13,1,6.097,6.097,6.097,
PAR,HO14,1,6.852,6.852,6.852,
PAR,HO16,1,7.130,7.130,7.130,
PAR,HO26,1,8.376,8.376,8.376,
PBT,H1',2,5.22,5.45,5.335,0.163
PBT,H2'1,2,1.72,1.97,1.845,0.177
PBT,H2'2,2,1.84,2.37,2.105,0.375
PBT,H3,2,9.97,11.94,10.955,1.393
PBT,H3',2,4.72,4.77,4.745,0.035
PBT,H4',2,3.84,4.23,4.035,0.276
PBT,H5M1,2,0.75,1.45,1.100,0.495
PBT,H5M2,2,0.75,1.45,1.100,0.495
PBT,H5M3,2,0.75,1.45,1.100,0.495
PBT,H6C1,2,4.05,4.40,4.225,0.247
PBT,H6C2,2,4.05,4.40,4.225,0.247
PBU,C1,1,75.792,75.792,75.792,
PBU,C1',1,62.945,62.945,62.945,
PBU,C10,1,13.540,13.540,13.540,
PBU,C12,1,33.990,33.990,33.990,
PBU,C13,1,18.002,18.002,18.002,
PBU,C14,1,13.462,13.462,13.462,
PBU,C2,1,70.759,70.759,70.759,
PBU,C2',1,70.889,70.889,70.889,
PBU,C3,1,70.330,70.330,70.330,
PBU,C3',1,63.872,63.872,63.872,
PBU,C4,1,76.887,76.887,76.887,
PBU,C5,1,78.318,78.318,78.318,
PBU,C6,1,70.932,70.932,70.932,
PBU,C7,1,176.135,176.135,176.135,
PBU,C8,1,34.199,34.199,34.199,
PBU,C9,1,18.002,18.002,18.002,
PBU,H1,1,3.991,3.991,3.991,
PBU,H11,1,0.865,0.865,0.865,
PBU,H1'1,1,4.277,4.277,4.277,
PBU,H12,1,0.865,0.865,0.865,
PBU,H1'2,1,4.394,4.394,4.394,
PBU,H121,1,2.386,2.386,2.386,
PBU,H122,1,2.386,2.386,2.386,
PBU,H13,1,0.865,0.865,0.865,
PBU,H131,1,1.582,1.582,1.582,
PBU,H132,1,1.582,1.582,1.582,
PBU,H141,1,0.851,0.851,0.851,
PBU,H142,1,0.851,0.851,0.851,
PBU,H143,1,0.851,0.851,0.851,
PBU,H2,1,4.220,4.220,4.220,
PBU,H2',1,5.216,5.216,5.216,
PBU,H3,1,3.661,3.661,3.661,
PBU,H3'1,1,4.089,4.089,4.089,
PBU,H3'2,1,4.114,4.114,4.114,
PBU,H4,1,4.322,4.322,4.322,
PBU,H5,1,4.044,4.044,4.044,
PBU,H6,1,3.920,3.920,3.920,
PBU,H81,1,2.349,2.349,2.349,
PBU,H82,1,2.349,2.349,2.349,
PBU,H91,1,1.565,1.565,1.565,
PBU,H92,1,1.565,1.565,1.565,
PCA,C,4,175.880,177.884,176.656,0.859
PCA,CA,29,56.753,63.042,59.332,1.113
PCA,CB,27,24.155,31.558,27.926,1.234
PCA,CD,1,177.617,177.617,177.617,
PCA,CG,24,27.746,32.937,31.488,1.300
PCA,H,48,6.625,8.39,7.799,0.325
PCA,H1,1,8.089,8.089,8.089,
PCA,HA,72,3.509,4.68,4.228,0.241
PCA,HB2,68,1.613,2.834,2.226,0.281
PCA,HB3,67,1.287,2.59,2.124,0.302
PCA,HG2,64,0.86,2.73,2.293,0.314
PCA,HG3,59,0.574,2.665,2.203,0.416
PCA,N,18,123.506,128.837,125.159,1.207
PDU,H1',6,6.10,6.38,6.207,0.131
PDU,H2',6,2.36,2.46,2.402,0.047
PDU,H2'',6,2.38,2.81,2.635,0.200
PDU,H3',6,4.63,4.94,4.828,0.150
PDU,H4',6,4.16,4.38,4.285,0.097
PDU,H5',5,4.20,4.27,4.250,0.029
PDU,H5'',5,4.17,4.24,4.192,0.029
PDU,H6,6,7.77,7.98,7.887,0.089
PDU,H71,6,2.04,2.07,2.053,0.012
PDU,H72,6,2.04,2.07,2.053,0.012
PDU,H73,6,2.04,2.07,2.053,0.012
PFF,F,1,-115.50,-115.50,-115.500,
PFF,H,7,7.489,8.33,7.901,0.414
PFF,HA,7,4.59,5.064,4.756,0.200
PFF,HB2,7,2.791,3.054,2.920,0.090
PFF,HB3,7,3.02,3.614,3.299,0.274
PFF,HD1,7,7.035,7.254,7.143,0.066
PFF,HD2,5,7.113,7.16,7.142,0.024
PFF,HE1,6,6.680,7.078,6.958,0.142
PFF,HE2,4,6.98,7.078,7.005,0.049
PFX,CA,1,58.69,58.69,58.690,
PFX,HA,1,4.2,4.2,4.200,
PFX,HB2,1,3.19,3.19,3.190,
PFX,HB3,1,3.19,3.19,3.190,
PFX,HD1,1,7.73,7.73,7.730,
PFX,HD2,1,7.73,7.73,7.730,
PFX,HE1,1,7.36,7.36,7.360,
PFX,HE2,1,7.36,7.36,7.360,
PH6,HA,1,4.354,4.354,4.354,
PH6,HB2,1,1.696,1.696,1.696,
PH6,HB3,1,1.859,1.859,1.859,
PH6,HD2,1,3.075,3.075,3.075,
PH6,HD3,1,3.653,3.653,3.653,
PH6,HG2,1,1.624,1.624,1.624,
PH8,HA,2,4.120,4.150,4.135,0.021
PH8,HN,2,7.680,7.830,7.755,0.106
PHF,CB,1,39.5300,39.5300,39.530,
PHF,H,1,8.8590,8.8590,8.859,
PHF,HA,1,4.1690,4.1690,4.169,
PHF,HB2,1,2.8570,2.8570,2.857,
PHF,HB3,1,2.6110,2.6110,2.611,
PHF,N,1,114.7560,114.7560,114.756,
PHL,C,4,64.215,66.61,65.356,1.286
PHL,CA,4,53.457,55.95,54.608,1.233
PHL,CB,4,36.738,38.92,37.909,1.167
PHL,CD,1,131.88,131.88,131.880,
PHL,CD1,1,129.971,129.971,129.971,
PHL,CE,1,130.26,130.26,130.260,
PHL,CE1,1,128.251,128.251,128.251,
PHL,CZ,2,121.242,128.33,124.786,5.012
PHL,H,5,7.147,7.567,7.378,0.201
PHL,H1,2,3.62,3.633,3.627,0.009
PHL,H2,4,3.62,3.748,3.678,0.062
PHL,HA,5,3.628,4.210,4.063,0.245
PHL,HB2,5,2.635,2.763,2.712,0.056
PHL,HB3,5,2.889,3.183,3.031,0.114
PHL,HD,1,7.28,7.28,7.280,
PHL,HD1,2,7.28,7.449,7.365,0.120
PHL,HD2,2,7.28,7.449,7.365,0.120
PHL,HE,1,7.28,7.28,7.280,
PHL,HE1,2,7.22,7.360,7.290,0.099
PHL,HE2,2,7.22,7.360,7.290,0.099
PHL,HZ,3,7.134,7.14,7.138,0.003
PHL,N,4,117.698,118.335,118.004,0.261
PHQ,HB2,1,4.78578,4.78578,4.786,
PHQ,HD1,1,7.107115,7.107115,7.107,
PHQ,HE1,1,7.136735,7.136735,7.137,
PLM,C2,1,39.64,39.64,39.640,
PLM,C3,1,28.54,28.54,28.540,
PLM,C4,1,32.21,32.21,32.210,
PLM,CD,1,32.34,32.34,32.340,
PLM,CE,1,34.39,34.39,34.390,
PLM,CF,1,25.03,25.03,25.030,
PLM,CG,1,16.41,16.41,16.410,
PLM,H101,1,1.035,1.035,1.035,
PLM,H102,1,1.035,1.035,1.035,
PLM,H111,1,1.063,1.063,1.063,
PLM,H112,1,1.063,1.063,1.063,
PLM,H121,1,1.063,1.063,1.063,
PLM,H122,1,1.063,1.063,1.063,
PLM,H13,1,1.305,1.305,1.305,
PLM,H131,1,1.013,1.013,1.013,
PLM,H132,1,1.013,1.013,1.013,
PLM,H14,1,1.245,1.245,1.245,
PLM,H141,1,1.071,1.071,1.071,
PLM,H142,1,1.071,1.071,1.071,
PLM,H15,2,1.169,1.236,1.203,0.047
PLM,H151,1,1.076,1.076,1.076,
PLM,H152,1,1.076,1.076,1.076,
PLM,H16,2,0.753,0.845,0.799,0.065
PLM,H161,1,0.694,0.694,0.694,
PLM,H162,1,0.694,0.694,0.694,
PLM,H163,1,0.694,0.694,0.694,
PLM,H2,2,2.162,2.349,2.256,0.132
PLM,H21,2,1.902,2.22,2.061,0.225
PLM,H22,2,1.902,2.22,2.061,0.225
PLM,H3,2,1.497,1.576,1.537,0.056
PLM,H31,2,0.966,1.59,1.278,0.441
PLM,H32,2,0.966,1.59,1.278,0.441
PLM,H4,2,1.207,1.306,1.257,0.070
PLM,H41,2,0.996,1.28,1.138,0.201
PLM,H42,2,0.996,1.28,1.138,0.201
PLM,H5,1,1.244,1.244,1.244,
PLM,H51,1,1.072,1.072,1.072,
PLM,H52,1,1.072,1.072,1.072,
PLM,H61,1,1.036,1.036,1.036,
PLM,H62,1,1.036,1.036,1.036,
PLM,H71,1,1.072,1.072,1.072,
PLM,H72,1,1.072,1.072,1.072,
PLM,H81,1,1.055,1.055,1.055,
PLM,H82,1,1.055,1.055,1.055,
PLM,H91,1,1.071,1.071,1.071,
PLM,H92,1,1.071,1.071,1.071,
PLM,HD1,1,1.28,1.28,1.280,
PLM,HD2,1,1.28,1.28,1.280,
PLM,HE1,1,1.23,1.23,1.230,
PLM,HE2,1,1.23,1.23,1.230,
PLM,HF1,1,1.25,1.25,1.250,
PLM,HF2,1,1.25,1.25,1.250,
PLM,HG,1,0.85,0.85,0.850,
PNS,1H28,2,3.383,3.480,3.432,0.069
PNS,1H30,2,0.843,0.931,0.887,0.062
PNS,1H31,2,0.931,0.941,0.936,0.007
PNS,1H37,2,3.487,3.558,3.523,0.050
PNS,1H38,2,2.485,2.487,2.486,0.001
PNS,1H42,2,3.233,3.463,3.348,0.163
PNS,1H43,2,2.790,2.834,2.812,0.031
PNS,2H28,2,3.759,3.788,3.774,0.021
PNS,2H30,2,0.843,0.931,0.887,0.062
PNS,2H31,2,0.931,0.941,0.936,0.007
PNS,2H37,2,3.469,3.487,3.478,0.013
PNS,2H38,2,2.485,2.487,2.486,0.001
PNS,2H42,2,3.199,3.463,3.331,0.187
PNS,2H43,2,2.790,2.834,2.812,0.031
PNS,3H30,2,0.843,0.931,0.887,0.062
PNS,3H31,2,0.931,0.941,0.936,0.007
PNS,C,1,175.832,175.832,175.832,
PNS,C28,6,73.7,74.24,73.920,0.194
PNS,C30,6,17.7,26.0,21.597,2.677
PNS,C31,6,22.55,26.0,23.743,1.178
PNS,C32,6,75.4,77.1,76.607,0.606
PNS,C34,3,177.2,177.57,177.357,0.191
PNS,C37,6,38.17,38.303,38.258,0.058
PNS,C38,6,38.0,41.18,38.611,1.261
PNS,C39,3,174.4,176.50,175.733,1.159
PNS,C42,6,38.08,45.3,44.005,2.904
PNS,C43,6,25.4,39.33,28.189,5.465
PNS,CA,1,60.335,60.335,60.335,
PNS,CB,1,65.374,65.374,65.374,
PNS,H,1,8.763,8.763,8.763,
PNS,H281,7,2.80,3.753,3.422,0.309
PNS,H282,8,3.415,3.893,3.636,0.180
PNS,H283,1,3.717,3.717,3.717,
PNS,H28A,1,3.335,3.335,3.335,
PNS,H28B,1,3.738,3.738,3.738,
PNS,H301,8,-0.41,0.952,0.720,0.461
PNS,H302,7,-0.41,0.952,0.711,0.497
PNS,H303,6,-0.41,0.952,0.671,0.532
PNS,H30A,1,0.820,0.820,0.820,
PNS,H30B,1,0.820,0.820,0.820,
PNS,H30C,2,0.820,0.951,0.886,0.093
PNS,H311,8,0.26,1.063,0.829,0.242
PNS,H312,7,0.26,1.063,0.831,0.261
PNS,H313,6,0.26,0.95,0.793,0.263
PNS,H31A,1,0.936,0.936,0.936,
PNS,H31B,1,0.936,0.936,0.936,
PNS,H31C,2,0.936,1.063,1.000,0.090
PNS,H32,9,3.80,4.035,3.980,0.072
PNS,H321,1,4.115,4.115,4.115,
PNS,H32A,1,3.988,3.988,3.988,
PNS,H36,10,7.37,8.168,7.976,0.221
PNS,H361,1,8.135,8.135,8.135,
PNS,H36A,1,8.005,8.005,8.005,
PNS,H371,7,2.40,3.622,3.318,0.418
PNS,H372,7,2.40,3.622,3.340,0.419
PNS,H373,1,3.523,3.523,3.523,
PNS,H37A,1,3.502,3.502,3.502,
PNS,H37B,1,3.502,3.502,3.502,
PNS,H381,8,2.441,2.94,2.543,0.168
PNS,H382,7,2.435,3.62,2.651,0.430
PNS,H38A,1,2.489,2.489,2.489,
PNS,H38B,1,2.489,2.489,2.489,
PNS,H41,10,7.26,8.311,8.119,0.307
PNS,H411,1,8.320,8.320,8.320,
PNS,H41A,1,8.157,8.157,8.157,
PNS,H421,8,2.80,3.432,3.254,0.191
PNS,H422,7,3.02,3.432,3.279,0.127
PNS,H42A,1,3.335,3.335,3.335,
PNS,H42B,1,3.335,3.335,3.335,
PNS,H431,7,2.45,3.009,2.659,0.230
PNS,H432,7,2.20,3.009,2.650,0.284
PNS,H43A,1,2.615,2.615,2.615,
PNS,H43B,1,2.615,2.615,2.615,
PNS,HA,1,3.793,3.793,3.793,
PNS,HB1,1,4.025,4.025,4.025,
PNS,HB2,1,4.025,4.025,4.025,
PNS,N,1,113.635,113.635,113.635,
PNS,N36,7,117.8,121.16,120.023,1.178
PNS,N41,7,123.7,124.577,124.085,0.274
POP,PA,2,-14.140,-12.230,-13.185,1.351
POP,PB,2,-13.550,-10.930,-12.240,1.853
PQ3,HA',1,11.346,11.346,11.346,
PQ3,HB,1,8.985,8.985,8.985,
PQ3,HB',1,8.926,8.926,8.926,
PQ3,HC,1,10.288,10.288,10.288,
PQ3,HC',1,10.234,10.234,10.234,
PQ3,HD,1,7.776,7.776,7.776,
PQ3,HD',1,7.784,7.784,7.784,
PQ3,HDA,1,12.141,12.141,12.141,
PQ3,HDG,1,8.120,8.120,8.120,
PQ3,HE,1,7.784,7.784,7.784,
PQ3,HE',1,7.784,7.784,7.784,
PQ3,HF,1,8.007,8.007,8.007,
PQ3,HF',1,8.063,8.063,8.063,
PQ3,HG',1,8.181,8.181,8.181,
PQ3,HH,1,8.009,8.009,8.009,
PQ3,HH',1,8.008,8.008,8.008,
PQ3,HI1,1,4.574,4.574,4.574,
PQ3,HI1',1,4.716,4.716,4.716,
PQ3,HI2,1,4.574,4.574,4.574,
PQ3,HI2',1,4.716,4.716,4.716,
PQ3,HI3,1,4.574,4.574,4.574,
PQ3,HI3',1,4.716,4.716,4.716,
PQ3,HJ,1,8.312,8.312,8.312,
PQ3,HJ',1,8.312,8.312,8.312,
PQ3,HK,1,7.786,7.786,7.786,
PQ3,HK',1,7.786,7.786,7.786,
PRF,H1,1,13.02,13.02,13.020,
PRF,H101,2,3.34,3.931,3.636,0.418
PRF,H102,2,3.45,4.589,4.020,0.805
PRF,H111,1,7.7,7.7,7.700,
PRF,H21,1,8.25,8.25,8.250,
PRF,H22,1,7.85,7.85,7.850,
PRF,H8,1,5.84,5.84,5.840,
PRF,H81,1,6.53,6.53,6.530,
PRF,H9,1,11.03,11.03,11.030,
PRF,HN11,1,11.693,11.693,11.693,
PRF,HN91,1,8.529,8.529,8.529,
PSR,H28A,1,3.447,3.447,3.447,
PSR,H28B,1,3.895,3.895,3.895,
PSR,H2A,1,2.635,2.635,2.635,
PSR,H2B,1,2.635,2.635,2.635,
PSR,H30A,1,0.958,0.958,0.958,
PSR,H30B,1,0.958,0.958,0.958,
PSR,H30C,1,0.958,0.958,0.958,
PSR,H31A,1,1.060,1.060,1.060,
PSR,H31B,1,1.060,1.060,1.060,
PSR,H31C,1,1.060,1.060,1.060,
PSR,H32A,1,4.126,4.126,4.126,
PSR,H36A,1,8.111,8.111,8.111,
PSR,H37A,1,3.584,3.584,3.584,
PSR,H37B,1,3.584,3.584,3.584,
PSR,H38A,1,2.565,2.565,2.565,
PSR,H38B,1,2.565,2.565,2.565,
PSR,H3A,1,1.676,1.676,1.676,
PSR,H3B,1,1.676,1.676,1.676,
PSR,H41A,1,8.266,8.266,8.266,
PSR,H42A,1,3.424,3.424,3.424,
PSR,H42B,1,3.424,3.424,3.424,
PSR,H43A,1,3.073,3.073,3.073,
PSR,H43B,1,3.073,3.073,3.073,
PSR,H4A,1,0.941,0.941,0.941,
PSR,H4B,1,0.941,0.941,0.941,
PSR,H4C,1,0.941,0.941,0.941,
PSU,C1',14,81.8,83.656,82.820,0.482
PSU,C2',13,73.300,75.76,74.898,0.757
PSU,C3',11,72.893,75.99,74.347,0.912
PSU,C4',12,79.429,82,79.972,0.890
PSU,C5',9,63.254,66.804,65.610,1.032
PSU,C6,20,136.976,142.687,140.383,1.112
PSU,H1,12,10.253,11.596,10.697,0.377
PSU,H1',26,4.35,10.493,5.022,1.176
PSU,H2',23,3.898,4.615,4.396,0.178
PSU,H3,10,10.317,14.26,12.056,1.423
PSU,H3',25,4.153,12.171,5.006,2.040
PSU,H4',18,3.988,4.46,4.218,0.107
PSU,H5',23,3.784,4.564,4.237,0.231
PSU,H5'',21,3.816,4.156,3.987,0.096
PSU,H6,24,6.819,7.753,7.291,0.290
PSU,HN1,2,10.26,10.45,10.355,0.134
PSU,HN3,9,10.504,14.16,11.326,1.400
PSU,HO2',2,4.14,4.41,4.275,0.191
PSU,N1,3,135.308,135.952,135.535,0.362
PSU,N3,4,159.868,160.807,160.361,0.387
PSU,P,4,-3.91,-3.36,-3.663,0.227
PTDINS3P,C1,1,65.48,65.48,65.480,
PTDINS3P,C1',1,78.48,78.48,78.480,
PTDINS3P,C10,1,20.71,20.71,20.710,
PTDINS3P,C11,1,15.55,15.55,15.550,
PTDINS3P,C2,1,73.66,73.66,73.660,
PTDINS3P,C2',1,73.71,73.71,73.710,
PTDINS3P,C3,1,66.65,66.65,66.650,
PTDINS3P,C3',1,76.47,76.47,76.470,
PTDINS3P,C4',1,75.15,75.15,75.150,
PTDINS3P,C5,1,38.59,38.59,38.590,
PTDINS3P,C5',1,77.43,77.43,77.430,
PTDINS3P,C6,1,20.71,20.71,20.710,
PTDINS3P,C6',1,74.03,74.03,74.030,
PTDINS3P,C7,1,15.55,15.55,15.550,
PTDINS3P,C9,1,38.45,38.45,38.450,
PTDINS3P,H1',1,4.10,4.10,4.100,
PTDINS3P,H102,1,1.64,1.64,1.640,
PTDINS3P,H103,1,1.64,1.64,1.640,
PTDINS3P,H111,1,0.94,0.94,0.940,
PTDINS3P,H112,1,0.94,0.94,0.940,
PTDINS3P,H113,1,0.94,0.94,0.940,
PTDINS3P,H12,1,4.46,4.46,4.460,
PTDINS3P,H13,1,4.32,4.32,4.320,
PTDINS3P,H2,1,5.36,5.36,5.360,
PTDINS3P,H2',1,4.43,4.43,4.430,
PTDINS3P,H3',1,4.21,4.21,4.210,
PTDINS3P,H32,1,4.13,4.13,4.130,
PTDINS3P,H33,1,4.13,4.13,4.130,
PTDINS3P,H4',1,4.02,4.02,4.020,
PTDINS3P,H5',1,3.26,3.26,3.260,
PTDINS3P,H52,1,2.43,2.43,2.430,
PTDINS3P,H53,1,2.43,2.43,2.430,
PTDINS3P,H6',1,3.80,3.80,3.800,
PTDINS3P,H62,1,1.64,1.64,1.640,
PTDINS3P,H63,1,1.64,1.64,1.640,
PTDINS3P,H71,1,0.94,0.94,0.940,
PTDINS3P,H72,1,0.94,0.94,0.940,
PTDINS3P,H73,1,0.94,0.94,0.940,
PTDINS3P,H92,1,2.40,2.40,2.400,
PTDINS3P,H93,1,2.40,2.40,2.400,
PTDINS3P,P1,1,-2.17,-2.17,-2.170,
PTDINS3P,P2,1,-1.78,-1.78,-1.780,
PTR,C,9,174.988,179.207,176.071,1.215
PTR,CA,14,53.0715,63.308,57.984,2.074
PTR,CB,14,36.998,48.726,39.673,2.784
PTR,CD1,6,121.837,132.992,130.886,4.448
PTR,CD2,4,132.1600,132.992,132.781,0.414
PTR,CE1,7,117.9100,124.10,120.057,2.608
PTR,CE2,4,117.9100,118.143,118.068,0.107
PTR,H,29,7.003,9.060,8.044,0.476
PTR,HA,19,3.96,5.1700,4.543,0.323
PTR,HB2,20,2.463,3.249,2.958,0.184
PTR,HB3,20,2.531,3.564,2.975,0.237
PTR,HD1,20,6.0900,7.505,7.022,0.328
PTR,HD2,15,6.0900,7.448,7.039,0.324
PTR,HE1,18,5.8600,7.234,6.857,0.306
PTR,HE2,15,5.8600,7.234,6.851,0.333
PTR,N,19,105.719,123.4900,119.573,4.293
PYB,C,1,36.572,36.572,36.572,
PYB,CB,15,118.964,122.128,121.075,1.070
PYB,CB1,18,102.464,106.588,104.273,1.426
PYB,CD,17,36.172,37.845,37.045,0.626
PYB,H,18,9.135,10.731,9.854,0.585
PYB,HB,34,7.035,7.663,7.428,0.244
PYB,HB1,36,5.984,6.451,6.257,0.144
PYB,HD1,35,3.540,3.929,3.737,0.141
PZD,H10A,1,7.45,7.45,7.450,
PZD,H11A,1,7.47,7.47,7.470,
PZD,H12A,1,7.79,7.79,7.790,
PZD,H13A,1,7.8,7.8,7.800,
PZD,H14A,1,7.85,7.85,7.850,
PZD,H15A,1,8.2,8.2,8.200,
PZD,H16A,1,7.6,7.6,7.600,
PZD,H17A,1,8.05,8.05,8.050,
PZD,H18A,1,3.99,3.99,3.990,
PZD,H19A,1,4.03,4.03,4.030,
PZD,H1A,1,4.13,4.13,4.130,
PZD,H20A,1,5.84,5.84,5.840,
PZD,H21A,1,8.3,8.3,8.300,
PZD,H4A,1,3.98,3.98,3.980,
PZD,H5A,1,3.84,3.84,3.840,
PZD,H8A,1,7.17,7.17,7.170,
PZD,H9A,1,6.6,6.6,6.600,
QSV,H2,1,8.044,8.044,8.044,
QSV,H2',1,8.050,8.050,8.050,
QSV,H4,1,8.118,8.118,8.118,
QSV,H4',1,8.117,8.117,8.117,
QSV,H5,1,7.957,7.957,7.957,
QSV,H5',1,7.949,7.949,7.949,
QSV,H71,1,2.097,2.097,2.097,
QSV,H74,1,1.984,1.984,1.984,
QSY,H1,1,6.787,6.787,6.787,
QSY,H16,1,2.144,2.144,2.144,
QSY,H17,1,2.144,2.144,2.144,
QSY,H18,1,2.144,2.144,2.144,
QSY,H2,1,7.190,7.190,7.190,
QSY,H3,1,7.068,7.068,7.068,
QSY,H4,1,3.666,3.666,3.666,
QSY,H5,1,3.666,3.666,3.666,
QSY,H6,1,3.666,3.666,3.666,
QSY,H8,1,7.974,7.974,7.974,
QUA,C10,4,129.8,130.0,129.900,0.082
QUA,C11,4,163.5,163.7,163.600,0.082
QUA,C13,4,67.2,67.3,67.225,0.050
QUA,C14,4,25.6,25.8,25.700,0.082
QUA,C3,4,125.0,125.1,125.025,0.050
QUA,C4,4,156.3,156.4,156.350,0.058
QUA,C5,4,126.0,126.1,126.050,0.058
QUA,C6,4,132.6,132.8,132.700,0.082
QUA,C7,4,61.8,62.3,62.100,0.216
QUA,C8,4,69.8,70.2,69.950,0.173
QUA,C9,4,157.2,157.3,157.225,0.050
QUA,H13,4,5.33,5.37,5.343,0.019
QUA,H141,4,1.36,1.40,1.388,0.019
QUA,H142,4,1.36,1.40,1.388,0.019
QUA,H143,4,1.36,1.40,1.388,0.019
QUA,HC3,4,7.29,7.34,7.310,0.024
QUA,HC5,4,6.89,6.94,6.908,0.022
QUA,HC6,4,6.36,6.38,6.365,0.010
QUA,HC71,4,3.61,3.65,3.623,0.019
QUA,HC8,4,4.53,4.64,4.600,0.048
QUI,H1',1,4.093,4.093,4.093,
QUI,H10,1,6.703,6.703,6.703,
QUI,H11,1,7.590,7.590,7.590,
QUI,H2,1,7.276,7.276,7.276,
QUI,H2',1,3.462,3.462,3.462,
QUI,H3,1,7.217,7.217,7.217,
QUI,H4,1,6.948,6.948,6.948,
QUI,H4',1,3.244,3.244,3.244,
QUI,H5,1,7.599,7.599,7.599,
QUI,H5',1,1.236,1.236,1.236,
QUI,H8,1,7.000,7.000,7.000,
QUI,H9,1,7.053,7.053,7.053,
RBD,H1',1,5.814,5.814,5.814,
RBD,H2,1,7.272,7.272,7.272,
RBD,H2',1,2.368,2.368,2.368,
RBD,H2'',1,2.623,2.623,2.623,
RBD,H3',1,4.981,4.981,4.981,
RBD,H5',1,4.133,4.133,4.133,
RBD,H5'',1,4.198,4.198,4.198,
RBD,H8,1,8.040,8.040,8.040,
RBD,HA1,1,3.949,3.949,3.949,
RBD,HA2,1,3.880,3.880,3.880,
RBD,HB,1,4.319,4.319,4.319,
RBD,HD1,1,3.723,3.723,3.723,
RBD,HD2,1,3.637,3.637,3.637,
RBD,HG,1,4.292,4.292,4.292,
RET,C10,2,128.0,131.4,129.700,2.404
RET,C11,2,127.8,141.6,134.700,9.758
RET,C12,2,132.2,137.9,135.050,4.031
RET,C14,2,122.1,126.9,124.500,3.394
RET,C15,2,163.1,165.7,164.400,1.838
RET,C16,2,28.6,30.6,29.600,1.414
RET,C17,2,26.1,33.4,29.750,5.162
RET,C18,2,20.9,21.6,21.250,0.495
RET,C19,2,13.8,14.7,14.250,0.636
RET,C20,2,13.7,16.4,15.050,1.909
RET,C5,2,126.0,131.0,128.500,3.536
RET,C8,2,139.3,139.6,139.450,0.212
RF9,C,15,176.335,177.196,176.660,0.244
RF9,CA,15,56.258,56.997,56.525,0.185
RF9,CB,15,32.818,33.151,33.003,0.118
RF9,H,15,8.207,8.535,8.416,0.098
RF9,HA,15,4.178,4.398,4.295,0.060
RF9,N,15,120.784,126.452,123.158,1.481
RMP,H1',4,5.87,6.29,6.055,0.177
RMP,H2,3,7.21,7.67,7.420,0.233
RMP,H2',4,2.66,2.90,2.765,0.105
RMP,H2'',4,2.41,2.75,2.605,0.150
RMP,H3',4,4.65,5.39,5.150,0.337
RMP,H4',4,4.21,4.55,4.453,0.162
RMP,H8,4,8.04,8.28,8.150,0.100
RMP,P,4,35.55,36.10,35.848,0.230
RTL,1H15,1,2.99,2.99,2.990,
RTL,1H16,1,1.13,1.13,1.130,
RTL,1H17,1,1.13,1.13,1.130,
RTL,1H18,1,1.71,1.71,1.710,
RTL,1H19,1,2.06,2.06,2.060,
RTL,1H2,1,4.07,4.07,4.070,
RTL,1H20,1,0.91,0.91,0.910,
RTL,2H15,1,2.17,2.17,2.170,
RTL,2H16,1,1.13,1.13,1.130,
RTL,2H17,1,1.13,1.13,1.130,
RTL,2H18,1,1.71,1.71,1.710,
RTL,2H19,1,2.06,2.06,2.060,
RTL,2H2,1,4.07,4.07,4.070,
RTL,2H20,1,0.91,0.91,0.910,
RTL,3H16,1,1.13,1.13,1.130,
RTL,3H17,1,1.13,1.13,1.130,
RTL,3H18,1,1.71,1.71,1.710,
RTL,3H19,1,2.06,2.06,2.060,
RTL,3H20,1,0.91,0.91,0.910,
RTL,C16,1,29.1,29.1,29.100,
RTL,C17,1,30.3,30.3,30.300,
RTL,C18,1,22.6,22.6,22.600,
RTL,C19,1,14.4,14.4,14.400,
RTL,C4,1,35.6,35.6,35.600,
RTL,C8,1,135.7,135.7,135.700,
RTL,H10,3,6.05,6.09,6.070,0.020
RTL,H11,3,6.33,6.69,6.567,0.205
RTL,H12,3,6.40,6.56,6.457,0.090
RTL,H14,3,5.25,5.73,5.413,0.274
RTL,H151,2,3.00,3.56,3.280,0.396
RTL,H152,2,2.17,2.95,2.560,0.552
RTL,H16,1,1.09,1.09,1.090,
RTL,H161,1,1.15,1.15,1.150,
RTL,H162,1,1.15,1.15,1.150,
RTL,H163,1,1.15,1.15,1.150,
RTL,H17,1,1.08,1.08,1.080,
RTL,H171,1,1.12,1.12,1.120,
RTL,H172,1,1.12,1.12,1.120,
RTL,H173,1,1.12,1.12,1.120,
RTL,H18,1,1.58,1.58,1.580,
RTL,H181,1,1.72,1.72,1.720,
RTL,H182,1,1.72,1.72,1.720,
RTL,H183,1,1.72,1.72,1.720,
RTL,H19,1,1.99,1.99,1.990,
RTL,H191,1,2.07,2.07,2.070,
RTL,H192,1,2.07,2.07,2.070,
RTL,H193,1,2.07,2.07,2.070,
RTL,H20,1,0.40,0.40,0.400,
RTL,H201,1,0.91,0.91,0.910,
RTL,H202,1,0.91,0.91,0.910,
RTL,H203,1,0.91,0.91,0.910,
RTL,H21,2,1.49,1.65,1.570,0.113
RTL,H22,2,1.65,1.73,1.690,0.057
RTL,H31,2,1.85,2.07,1.960,0.156
RTL,H32,2,1.72,1.85,1.785,0.092
RTL,H41,2,2.10,2.40,2.250,0.212
RTL,H42,2,2.01,2.10,2.055,0.064
RTL,H7,3,6.62,6.67,6.640,0.026
RTL,H8,3,6.32,6.39,6.363,0.038
RuTDpy,H1,2,8.87,9.00,8.935,0.092
RuTDpy,H10,2,8.84,9.07,8.955,0.163
RuTDpy,H11,2,6.46,6.52,6.490,0.042
RuTDpy,H12,2,6.31,6.39,6.350,0.057
RuTDpy,H13,2,8.43,8.50,8.465,0.049
RuTDpy,H14,2,7.99,8.27,8.130,0.198
RuTDpy,H15,2,6.83,6.99,6.910,0.113
RuTDpy,H16,2,8.61,8.75,8.680,0.099
RuTDpy,H17,2,8.02,8.18,8.100,0.113
RuTDpy,H18,2,6.89,6.92,6.905,0.021
RuTDpy,H19,2,8.66,8.69,8.675,0.021
RuTDpy,H20,2,7.42,7.77,7.595,0.247
RuTDpy,H21,2,7.04,7.08,7.060,0.028
RuTDpy,H22,2,7.46,7.73,7.595,0.191
RuTDpy,H25,2,9.73,9.80,9.765,0.049
RVJ,CA,1,56.371,56.371,56.371,
RVJ,CB,1,51.020,51.020,51.020,
RVJ,H1,1,8.827,8.827,8.827,
RVJ,HA,1,5.422,5.422,5.422,
RVJ,HB2,1,4.679,4.679,4.679,
RVJ,HB3,1,4.679,4.679,4.679,
RVJ,N,1,117.395,117.395,117.395,
RY,H1',4,5.5886,5.9206,5.704,0.148
RY,H41,1,10.0661,10.0661,10.066,
RY,H42,1,8.7392,8.7392,8.739,
RY,H5,4,5.2911,5.8341,5.546,0.283
RY,H6,4,7.3679,7.5543,7.459,0.080
S4U,H3,1,14.924,14.924,14.924,
S4U,N3,1,183.018,183.018,183.018,
SAC,H,3,8.31,9.54,8.768,0.672
SAC,H3,1,1.84,1.84,1.840,
SAC,HA,3,4.363,4.43,4.398,0.034
SAC,HB2,3,3.845,4.33,4.015,0.273
SAC,HB3,1,3.83,3.83,3.830,
SAH,C1',1,84.04,84.04,84.040,
SAH,C2,1,149.511,149.511,149.511,
SAH,C2',1,72.776,72.776,72.776,
SAH,C3',1,69.243,69.243,69.243,
SAH,C4',1,82.649,82.649,82.649,
SAH,C5',1,30.718,30.718,30.718,
SAH,C8,1,136.526,136.526,136.526,
SAH,CA,1,51.175,51.175,51.175,
SAH,CB,1,28.86,28.86,28.860,
SAH,CG,1,27.118,27.118,27.118,
SAH,H1',2,5.111,6.13,5.621,0.721
SAH,H2,2,7.889,8.22,8.055,0.234
SAH,H2',1,3.89,3.89,3.890,
SAH,H2'',1,4.92,4.92,4.920,
SAH,H3',1,2.124,2.124,2.124,
SAH,H3'',1,4.48,4.48,4.480,
SAH,H4',1,2.983,2.983,2.983,
SAH,H5',1,2.251,2.251,2.251,
SAH,H5'',1,2.335,2.335,2.335,
SAH,H8,2,7.397,8.42,7.909,0.723
SAH,HA,2,2.77,3.777,3.274,0.712
SAH,HB1,1,2.13,2.13,2.130,
SAH,HB2,2,1.779,2.19,1.985,0.291
SAH,HB3,1,2.13,2.13,2.130,
SAH,HE2,1,3.86,3.86,3.860,
SAH,HG1,2,2.572,3.10,2.836,0.373
SAH,HG2,2,2.275,2.76,2.518,0.343
SAH,N7,1,225.71,225.71,225.710,
SAR,C,4,170.7,171.9,171.225,0.499
SAR,CA,4,50.0,50.56,50.340,0.252
SAR,CN,4,38.55,39.6,39.263,0.482
SAR,H,1,3.04,3.04,3.040,
SAR,HA2,5,3.582,4.798,4.514,0.522
SAR,HA3,6,3.191,4.10,3.466,0.353
SAR,HN1,5,3.250,4.232,3.535,0.395
SAR,HN2,5,3.250,4.232,3.535,0.395
SAR,HN3,5,3.250,4.232,3.535,0.395
SDE,H1',1,5.845,5.845,5.845,
SDE,H2,1,7.301,7.301,7.301,
SDE,H2',1,2.377,2.377,2.377,
SDE,H2'',1,2.617,2.617,2.617,
SDE,H3',1,4.998,4.998,4.998,
SDE,H4',1,4.138,4.138,4.138,
SDE,H5',1,4.215,4.215,4.215,
SDE,H8,1,8.047,8.047,8.047,
SDE,HA1,1,4.139,4.139,4.139,
SDE,HA2,1,3.663,3.663,3.663,
SDE,HB,1,4.358,4.358,4.358,
SDE,HD1,1,3.698,3.698,3.698,
SDE,HD2,1,3.619,3.619,3.619,
SDE,HG,1,4.254,4.254,4.254,
SDF-1,CB,2,37.4,37.6,37.500,0.141
SDF-1,CD1,2,124.1,124.2,124.150,0.071
SDF-1,CD2,2,124.1,124.2,124.150,0.071
SDF-1,CE1,2,125.0,125.3,125.150,0.212
SDF-1,CE2,2,125.0,125.3,125.150,0.212
SDF-1,CZ,2,122.3,122.4,122.350,0.071
SDF-1,HA,2,4.49,4.56,4.525,0.049
SDF-1,HB2,2,2.84,3.04,2.940,0.141
SDF-1,HB3,2,3.64,3.82,3.730,0.127
SDF-1,HD1,2,7.47,7.51,7.490,0.028
SDF-1,HD2,2,7.47,7.51,7.490,0.028
SDF-1,HE1,2,7.41,7.51,7.460,0.071
SDF-1,HE2,2,7.41,7.51,7.460,0.071
SDF-1,HZ,2,7.42,7.45,7.435,0.021
SDO,H28A,1,3.920,3.920,3.920,
SDO,H28B,1,3.919,3.919,3.919,
SDO,H30A,1,0.920,0.920,0.920,
SDO,H30B,1,0.920,0.920,0.920,
SDO,H30C,1,0.920,0.920,0.920,
SDO,H31A,1,1.060,1.060,1.060,
SDO,H31B,1,1.060,1.060,1.060,
SDO,H31C,1,1.060,1.060,1.060,
SDO,H32A,1,4.122,4.122,4.122,
SDO,H36A,1,8.110,8.110,8.110,
SDO,H37A,1,3.638,3.638,3.638,
SDO,H37B,1,3.638,3.638,3.638,
SDO,H38A,1,2.576,2.576,2.576,
SDO,H38B,1,2.576,2.576,2.576,
SDO,H41A,1,8.292,8.292,8.292,
SDO,H42A,1,3.462,3.462,3.462,
SDO,H42B,1,3.462,3.462,3.462,
SDO,H5A,1,2.107,2.107,2.107,
SDO,H5B,1,2.107,2.107,2.107,
SDO,H6A,1,2.514,2.514,2.514,
SDO,H6B,1,2.514,2.514,2.514,
SDO,H8A,1,2.194,2.194,2.194,
SDO,H8B,1,2.194,2.194,2.194,
SDO,H8C,1,2.194,2.194,2.194,
SDPhe,CA,2,38.4,52.284,45.342,9.817
SDPhe,CB,2,37.0,37.206,37.103,0.146
SDPhe,CD1,2,124.333,124.6,124.467,0.189
SDPhe,CD2,2,124.333,124.6,124.467,0.189
SDPhe,CE1,2,124.2,125.420,124.810,0.863
SDPhe,CE2,2,124.2,125.420,124.810,0.863
SDPhe,CZ,2,122.6,122.645,122.623,0.032
SDPhe,HA,2,3.94,4.636,4.288,0.492
SDPhe,HB2,2,3.154,3.29,3.222,0.096
SDPhe,HB3,1,3.563,3.563,3.563,
SDPhe,HD1,2,7.380,7.45,7.415,0.049
SDPhe,HD2,2,7.380,7.45,7.415,0.049
SDPhe,HE1,2,7.374,7.55,7.462,0.124
SDPhe,HE2,2,7.374,7.55,7.462,0.124
SDPhe,HZ,2,7.316,7.51,7.413,0.137
SEC,H,10,7.05,9.135,8.391,0.583
SEC,HA,10,4.17,5.19,4.664,0.268
SEC,HB2,10,3.230,4.080,3.680,0.322
SEC,HB3,10,3.13,3.590,3.363,0.157
SEP,C,38,172.110,176.943,174.001,0.854
SEP,CA,59,55.718,63.701,57.616,1.650
SEP,CB,60,63.293,72.065,65.630,1.217
SEP,H,89,7.178,10.049,8.744,0.367
SEP,HA,40,4.0670,4.833,4.495,0.169
SEP,HB2,35,3.641,4.84,4.059,0.195
SEP,HB3,32,3.601,4.217,4.003,0.147
SEP,N,64,113.00,123.345,118.395,1.940
SET,H,4,8.45,8.6,8.518,0.062
SET,HA,4,4.26,4.415,4.371,0.074
SET,HB2,4,3.83,3.92,3.864,0.039
SET,HB3,4,3.83,3.97,3.888,0.062
SHO,H28A,1,3.72,3.72,3.720,
SHO,H28B,1,3.34,3.34,3.340,
SHO,H2A,1,2.56,2.56,2.560,
SHO,H2B,1,2.56,2.56,2.560,
SHO,H30A,1,0.86,0.86,0.860,
SHO,H30B,1,0.86,0.86,0.860,
SHO,H30C,1,0.86,0.86,0.860,
SHO,H31A,1,0.86,0.86,0.860,
SHO,H31B,1,0.86,0.86,0.860,
SHO,H31C,1,0.86,0.86,0.860,
SHO,H32A,1,4.00,4.00,4.000,
SHO,H36A,1,8.04,8.04,8.040,
SHO,H37A,1,3.39,3.39,3.390,
SHO,H37B,1,3.55,3.55,3.550,
SHO,H38A,1,2.43,2.43,2.430,
SHO,H38B,1,2.43,2.43,2.430,
SHO,H3A,1,3.96,3.96,3.960,
SHO,H41A,1,8.24,8.24,8.240,
SHO,H42A,1,3.27,3.27,3.270,
SHO,H42B,1,3.27,3.27,3.270,
SHO,H43A,1,2.90,2.90,2.900,
SHO,H43B,1,2.90,2.90,2.900,
SHO,H4A,1,1.05,1.05,1.050,
SHO,H4B,1,1.05,1.05,1.050,
SHO,H5A,1,0.89,0.89,0.890,
SHO,H5B,1,0.89,0.89,0.890,
SHO,H6A,1,0.60,0.60,0.600,
SHO,H6B,1,0.60,0.60,0.600,
SHO,H7A,1,0.76,0.76,0.760,
SHO,H7B,1,0.76,0.76,0.760,
SHO,H8A,1,0.56,0.56,0.560,
SHO,H8B,1,0.56,0.56,0.560,
SHO,H8C,1,0.56,0.56,0.560,
SIA,H111,1,2.253,2.253,2.253,
SIA,H112,1,2.253,2.253,2.253,
SIA,H113,1,2.253,2.253,2.253,
SIA,H31,1,2.819,2.819,2.819,
SIA,H32,1,1.817,1.817,1.817,
SIA,H4,1,3.756,3.756,3.756,
SIA,H5,1,3.929,3.929,3.929,
SIA,H6,1,3.611,3.611,3.611,
SIA,H7,1,3.520,3.520,3.520,
SIA,H8,1,3.777,3.777,3.777,
SIA,H91,1,3.674,3.674,3.674,
SIA,H92,1,3.625,3.625,3.625,
SIA,HN5,1,8.305,8.305,8.305,
SIN,H,1,9.70,9.70,9.700,
SIN,H21,2,2.59,2.59,2.590,0.000
SIN,H31,1,7.59,7.59,7.590,
SIN,H32,1,6.82,6.82,6.820,
SIN,HA,2,2.66,2.68,2.670,0.014
SMC,C,12,170.467,177.1198,174.581,1.904
SMC,CA,11,53.08,58.641,55.935,1.957
SMC,CB,11,28.149,45.23,36.019,5.886
SMC,H,9,7.728,9.04,8.331,0.381
SMC,HA,10,4.05,8.642,4.825,1.348
SMC,HB2,9,2.00,3.23,2.806,0.329
SMC,HB3,9,1.14,2.911,2.574,0.610
SMC,HD,1,2.27,2.27,2.270,
SMC,N,9,115.71,123.881,120.497,2.646
SME,H,1,8.54,8.54,8.540,
SME,HA,1,4.42,4.42,4.420,
SME,HB2,1,2.08,2.08,2.080,
SME,HB3,1,2.00,2.00,2.000,
SME,HG2,1,2.79,2.79,2.790,
SME,HG3,1,2.79,2.79,2.790,
SNC,H,1,7.48,7.48,7.480,
SNC,N,1,112.33,112.33,112.330,
SOD,H28A,1,3.74,3.74,3.740,
SOD,H28B,1,3.3,3.3,3.300,
SOD,H2A,1,6.63,6.63,6.630,
SOD,H30A,1,0.87,0.87,0.870,
SOD,H30B,1,0.87,0.87,0.870,
SOD,H30C,1,0.87,0.87,0.870,
SOD,H31A,1,0.87,0.87,0.870,
SOD,H31B,1,0.87,0.87,0.870,
SOD,H31C,1,0.87,0.87,0.870,
SOD,H32A,1,4.04,4.04,4.040,
SOD,H36A,1,8.07,8.07,8.070,
SOD,H37A,1,3.39,3.39,3.390,
SOD,H37B,1,3.6,3.6,3.600,
SOD,H38A,1,2.46,2.46,2.460,
SOD,H38B,1,2.46,2.46,2.460,
SOD,H3A,1,6.02,6.02,6.020,
SOD,H41A,1,8.24,8.24,8.240,
SOD,H42A,1,3.11,3.11,3.110,
SOD,H42B,1,3.29,3.29,3.290,
SOD,H43A,1,2.84,2.84,2.840,
SOD,H43B,1,2.95,2.95,2.950,
SOD,H4A,1,1.76,1.76,1.760,
SOD,H4B,1,1.58,1.58,1.580,
SOD,H5A,1,1.02,1.02,1.020,
SOD,H5B,1,0.79,0.79,0.790,
SOD,H6A,1,0.75,0.75,0.750,
SOD,H6B,1,0.81,0.81,0.810,
SOD,H7A,1,0.96,0.96,0.960,
SOD,H7B,1,0.96,0.96,0.960,
SOD,H8A,1,0.63,0.63,0.630,
SOD,H8B,1,0.63,0.63,0.630,
SOD,H8C,1,0.63,0.63,0.630,
SP,C1,1,67.505,67.505,67.505,
SP,C2,2,40.287,74.651,57.469,24.299
SP,C3,2,28.611,133.696,81.154,74.306
SP,C4,2,31.424,133.696,82.560,72.317
SP,C5,2,31.350,73.154,52.252,29.560
SP,C6,2,30.921,75.978,53.450,31.860
SP,C7,1,27.758,27.758,27.758,
SP,C8,1,31.221,31.221,31.221,
SP,C9,1,73.367,73.367,73.367,
SP,H11,1,3.594,3.594,3.594,
SP,H12,1,3.503,3.503,3.503,
SP,H2,1,4.231,4.231,4.231,
SP,H21,1,2.158,2.158,2.158,
SP,H22,1,2.158,2.158,2.158,
SP,H3,1,5.764,5.764,5.764,
SP,H31,1,1.533,1.533,1.533,
SP,H32,1,1.533,1.533,1.533,
SP,H4,1,5.762,5.762,5.762,
SP,H41,1,1.275,1.275,1.275,
SP,H42,1,1.275,1.275,1.275,
SP,H5,1,4.321,4.321,4.321,
SP,H51,1,1.285,1.285,1.285,
SP,H52,1,1.285,1.285,1.285,
SP,H61,2,1.286,3.892,2.589,1.843
SP,H62,2,1.286,3.500,2.393,1.566
SP,H71,1,1.286,1.286,1.286,
SP,H72,1,1.286,1.286,1.286,
SP,H81,1,1.523,1.523,1.523,
SP,H82,1,1.523,1.523,1.523,
SP,H91,1,3.882,3.882,3.882,
SP,H92,1,3.556,3.556,3.556,
SP8a,C1,2,70.612,70.663,70.638,0.036
SP8a,C2,1,29.424,29.424,29.424,
SP8a,C3,1,40.327,40.327,40.327,
SP8a,H11,2,3.963,4.019,3.991,0.040
SP8a,H12,2,3.684,3.711,3.698,0.019
SP8a,H21,1,1.948,1.948,1.948,
SP8a,H22,1,1.948,1.948,1.948,
SP8a,H31,1,3.077,3.077,3.077,
SP8a,H32,1,3.077,3.077,3.077,
S_Ppt,S-HA,1,4.34,4.34,4.340,
S_Ppt,S-HB2,1,4.22,4.22,4.220,
S_Ppt,S-HB3,1,4.17,4.17,4.170,
S_Ppt,S-NH,1,8.69,8.69,8.690,
SRA,C,1,176.928,176.928,176.928,
SRA,CA,1,60.151,60.151,60.151,
SRA,CB,1,66.350,66.350,66.350,
SRA,H1,1,8.977,8.977,8.977,
SRA,HA,1,4.378,4.378,4.378,
SRA,HB2,1,4.199,4.199,4.199,
SRA,HB3,1,4.235,4.235,4.235,
SRA,N,1,113.458,113.458,113.458,
SSU,C1',1,91.81,91.81,91.810,
SSU,C5,1,102.9,102.9,102.900,
SSU,C6,1,140.80,140.80,140.800,
SSU,H1',1,5.639,5.639,5.639,
SSU,H2',1,4.302,4.302,4.302,
SSU,H3',1,4.39,4.39,4.390,
SSU,H4',1,4.35,4.35,4.350,
SSU,H5,1,5.639,5.639,5.639,
SSU,H6,1,7.781,7.781,7.781,
SSU,P,1,59.15,59.15,59.150,
STE,H181,1,0.738,0.738,0.738,
STE,H21,1,2.566,2.566,2.566,
STE,H31,1,1.525,1.525,1.525,
STE,H41,1,1.163,1.163,1.163,
STE,H51,1,1.085,1.085,1.085,
STL,H10,1,7.461,7.461,7.461,
STL,H11,1,6.873,6.873,6.873,
STL,H13,1,6.889,6.889,6.889,
STL,H14,1,7.478,7.478,7.478,
STL,H2,1,6.314,6.314,6.314,
STL,H4,1,6.600,6.600,6.600,
STL,H6,1,6.600,6.600,6.600,
STL,H7,1,6.926,6.926,6.926,
STL,H8,1,7.111,7.111,7.111,
SUC,C,1,180.66,180.66,180.660,
SUC,CA,1,35.66,35.66,35.660,
SUC,CB,1,34.86,34.86,34.860,
SUC,H,1,9.84,9.84,9.840,
SUC,HA1,1,2.60,2.60,2.600,
SUC,HA2,1,2.60,2.60,2.600,
SUC,HB1,1,2.68,2.68,2.680,
SUC,HB2,1,2.68,2.68,2.680,
SUC,N,1,120.59,120.59,120.590,
SXA,H28A,1,3.453,3.453,3.453,
SXA,H28B,1,3.899,3.899,3.899,
SXA,H2A,1,2.439,2.439,2.439,
SXA,H2B,1,2.439,2.439,2.439,
SXA,H2C,1,2.439,2.439,2.439,
SXA,H30A,1,0.942,0.942,0.942,
SXA,H30B,1,0.942,0.942,0.942,
SXA,H30C,1,0.942,0.942,0.942,
SXA,H31A,1,1.068,1.068,1.068,
SXA,H31B,1,1.068,1.068,1.068,
SXA,H31C,1,1.068,1.068,1.068,
SXA,H32A,1,4.119,4.119,4.119,
SXA,H36A,1,8.112,8.112,8.112,
SXA,H37A,1,3.583,3.583,3.583,
SXA,H37B,1,3.583,3.583,3.583,
SXA,H38A,1,2.564,2.564,2.564,
SXA,H38B,1,2.564,2.564,2.564,
SXA,H41A,1,8.294,8.294,8.294,
SXA,H42A,1,3.448,3.448,3.448,
SXA,H42B,1,3.448,3.448,3.448,
SXA,H43A,1,3.085,3.085,3.085,
SXA,H43B,1,3.085,3.085,3.085,
SXD,H1A,1,2.847,2.847,2.847,
SXD,H1B,1,2.847,2.847,2.847,
SXD,H28A,1,3.464,3.464,3.464,
SXD,H28B,1,3.907,3.907,3.907,
SXD,H2A,1,3.025,3.025,3.025,
SXD,H2B,1,3.025,3.025,3.025,
SXD,H30A,1,0.939,0.939,0.939,
SXD,H30B,1,0.939,0.939,0.939,
SXD,H30C,1,0.939,0.939,0.939,
SXD,H31A,1,1.077,1.077,1.077,
SXD,H31B,1,1.077,1.077,1.077,
SXD,H31C,1,1.077,1.077,1.077,
SXD,H32A,1,4.119,4.119,4.119,
SXD,H36A,1,8.112,8.112,8.112,
SXD,H37A,1,3.574,3.574,3.574,
SXD,H37B,1,3.632,3.632,3.632,
SXD,H38A,1,2.592,2.592,2.592,
SXD,H38B,1,2.592,2.592,2.592,
SXD,H41A,1,8.267,8.267,8.267,
SXD,H42A,1,3.469,3.469,3.469,
SXD,H42B,1,3.469,3.469,3.469,
SXD,H43A,1,2.762,2.762,2.762,
SXD,H43B,1,2.762,2.762,2.762,
SXD,H4A,1,3.943,3.943,3.943,
SXD,H4B,1,3.943,3.943,3.943,
SXD,H6A,1,2.358,2.358,2.358,
SXD,H6B,1,2.358,2.358,2.358,
SXD,H6C,1,2.358,2.358,2.358,
SXH,H1A,1,2.66,2.66,2.660,
SXH,H1B,1,2.66,2.66,2.660,
SXH,H28A,2,3.43,3.460,3.445,0.021
SXH,H28B,2,3.76,3.868,3.814,0.076
SXH,H2A,2,2.581,2.70,2.641,0.084
SXH,H2B,2,2.581,2.70,2.641,0.084
SXH,H30A,2,0.91,0.979,0.945,0.049
SXH,H30B,2,0.91,0.979,0.945,0.049
SXH,H30C,2,0.91,0.979,0.945,0.049
SXH,H31A,2,0.94,1.040,0.990,0.071
SXH,H31B,2,0.94,1.040,0.990,0.071
SXH,H31C,2,0.94,1.040,0.990,0.071
SXH,H32A,2,4.03,4.127,4.079,0.069
SXH,H36A,2,8.02,8.110,8.065,0.064
SXH,H37A,2,3.46,3.587,3.524,0.090
SXH,H37B,2,3.54,3.587,3.564,0.033
SXH,H38A,2,2.48,2.566,2.523,0.061
SXH,H38B,2,2.48,2.566,2.523,0.061
SXH,H3A,1,1.597,1.597,1.597,
SXH,H3B,1,1.597,1.597,1.597,
SXH,H41A,2,8.16,8.248,8.204,0.062
SXH,H42A,2,3.28,3.407,3.344,0.090
SXH,H42B,2,3.33,3.407,3.369,0.054
SXH,H43A,2,2.60,3.053,2.827,0.320
SXH,H43B,2,2.60,3.053,2.827,0.320
SXH,H4A,2,1.255,2.21,1.733,0.675
SXH,H4B,2,1.255,2.08,1.668,0.583
SXH,H5A,2,0.91,1.255,1.083,0.244
SXH,H5B,2,0.91,1.255,1.083,0.244
SXH,H6A,2,0.67,0.847,0.759,0.125
SXH,H6B,2,0.73,0.847,0.789,0.083
SXH,H6C,1,0.847,0.847,0.847,
SXH,H7A,1,0.73,0.73,0.730,
SXH,H7B,1,0.83,0.83,0.830,
SXH,H8A,1,0.59,0.59,0.590,
SXH,H8B,1,0.59,0.59,0.590,
SXH,H8C,1,0.59,0.59,0.590,
SXM,H28A,1,3.476,3.476,3.476,
SXM,H28B,1,3.905,3.905,3.905,
SXM,H2A,1,3.264,3.264,3.264,
SXM,H2B,1,3.264,3.264,3.264,
SXM,H30A,1,0.930,0.930,0.930,
SXM,H30B,1,0.930,0.930,0.930,
SXM,H30C,1,0.930,0.930,0.930,
SXM,H31A,1,1.068,1.068,1.068,
SXM,H31B,1,1.068,1.068,1.068,
SXM,H31C,1,1.068,1.068,1.068,
SXM,H32A,1,4.110,4.110,4.110,
SXM,H36A,1,8.140,8.140,8.140,
SXM,H37A,1,3.594,3.594,3.594,
SXM,H37B,1,3.594,3.594,3.594,
SXM,H38A,1,2.574,2.574,2.574,
SXM,H38B,1,2.574,2.574,2.574,
SXM,H41A,1,8.327,8.327,8.327,
SXM,H42A,1,3.461,3.461,3.461,
SXM,H42B,1,3.461,3.461,3.461,
SXM,H43A,1,3.138,3.138,3.138,
SXM,H43B,1,3.138,3.138,3.138,
SXO,H28A,2,3.507,3.72,3.614,0.151
SXO,H28B,2,3.39,3.851,3.621,0.326
SXO,H2A,2,2.46,2.509,2.485,0.035
SXO,H2B,2,2.46,2.509,2.485,0.035
SXO,H30A,2,0.86,1.008,0.934,0.105
SXO,H30B,2,0.86,1.008,0.934,0.105
SXO,H30C,2,0.86,1.008,0.934,0.105
SXO,H31A,2,0.88,1.036,0.958,0.110
SXO,H31B,2,0.88,1.036,0.958,0.110
SXO,H31C,2,0.88,1.036,0.958,0.110
SXO,H32A,2,4.01,4.130,4.070,0.085
SXO,H36A,2,8.03,8.114,8.072,0.059
SXO,H37A,2,3.41,3.628,3.519,0.154
SXO,H37B,2,3.54,3.561,3.551,0.015
SXO,H38A,2,2.45,2.575,2.513,0.088
SXO,H38B,2,2.45,2.575,2.513,0.088
SXO,H3A,2,1.22,1.506,1.363,0.202
SXO,H3B,2,1.22,1.506,1.363,0.202
SXO,H41A,2,8.18,8.268,8.224,0.062
SXO,H42A,2,3.17,3.401,3.286,0.163
SXO,H42B,2,3.21,3.401,3.306,0.135
SXO,H43A,2,2.83,3.040,2.935,0.148
SXO,H43B,2,2.83,3.040,2.935,0.148
SXO,H4A,2,0.75,1.164,0.957,0.293
SXO,H4B,2,0.75,1.164,0.957,0.293
SXO,H5A,2,0.66,1.164,0.912,0.356
SXO,H5B,2,0.66,1.164,0.912,0.356
SXO,H6A,2,0.66,1.164,0.912,0.356
SXO,H6B,2,0.66,1.164,0.912,0.356
SXO,H7A,2,0.91,1.232,1.071,0.228
SXO,H7B,2,0.91,1.232,1.071,0.228
SXO,H8A,2,0.61,0.839,0.725,0.162
SXO,H8B,2,0.61,0.839,0.725,0.162
SXO,H8C,2,0.61,0.839,0.725,0.162
SXR,H10,1,7.287,7.287,7.287,
SXR,H11,1,7.234,7.234,7.234,
SXR,H1A,1,2.816,2.816,2.816,
SXR,H1B,1,2.816,2.816,2.816,
SXR,H28A,1,3.895,3.895,3.895,
SXR,H28B,1,3.906,3.906,3.906,
SXR,H2A,1,2.928,2.928,2.928,
SXR,H2B,1,2.928,2.928,2.928,
SXR,H30A,1,0.951,0.951,0.951,
SXR,H30B,1,0.951,0.951,0.951,
SXR,H30C,1,0.951,0.951,0.951,
SXR,H31A,1,1.062,1.062,1.062,
SXR,H31B,1,1.062,1.062,1.062,
SXR,H31C,1,1.062,1.062,1.062,
SXR,H32A,1,4.128,4.128,4.128,
SXR,H36,1,8.088,8.088,8.088,
SXR,H37A,1,3.605,3.605,3.605,
SXR,H37B,1,3.605,3.605,3.605,
SXR,H38A,1,2.582,2.582,2.582,
SXR,H38B,1,2.582,2.582,2.582,
SXR,H41,1,8.221,8.221,8.221,
SXR,H42A,1,3.428,3.428,3.428,
SXR,H42B,1,3.427,3.427,3.427,
SXR,H43A,1,2.689,2.689,2.689,
SXR,H43B,1,2.689,2.689,2.689,
SXR,H4A,1,2.786,2.786,2.786,
SXR,H4B,1,2.786,2.786,2.786,
SXR,H5A,1,2.898,2.898,2.898,
SXR,H5B,1,2.898,2.898,2.898,
SXR,H7A,1,7.235,7.235,7.235,
SXR,H8A,1,7.287,7.287,7.287,
SXR,H9A,1,7.181,7.181,7.181,
SXV,H1A,1,2.838,2.838,2.838,
SXV,H1B,1,2.838,2.838,2.838,
SXV,H28A,1,3.464,3.464,3.464,
SXV,H28B,1,3.910,3.910,3.910,
SXV,H2A,1,2.963,2.963,2.963,
SXV,H2B,1,2.963,2.963,2.963,
SXV,H30A,1,0.940,0.940,0.940,
SXV,H30B,1,0.940,0.940,0.940,
SXV,H30C,1,0.940,0.940,0.940,
SXV,H31A,1,1.076,1.076,1.076,
SXV,H31B,1,1.076,1.076,1.076,
SXV,H31C,1,1.076,1.076,1.076,
SXV,H32A,1,4.119,4.119,4.119,
SXV,H36A,1,8.113,8.113,8.113,
SXV,H37A,1,3.569,3.569,3.569,
SXV,H37B,1,3.628,3.628,3.628,
SXV,H38A,1,2.591,2.591,2.591,
SXV,H38B,1,2.591,2.591,2.591,
SXV,H41A,1,8.273,8.273,8.273,
SXV,H42A,1,3.467,3.467,3.467,
SXV,H42B,1,3.467,3.467,3.467,
SXV,H43A,1,2.766,2.766,2.766,
SXV,H43B,1,2.766,2.766,2.766,
SXV,H4A,1,2.301,2.301,2.301,
SXV,H4B,1,2.301,2.301,2.301,
SXV,H4C,1,2.301,2.301,2.301,
SYO,H1A,1,2.66,2.66,2.660,
SYO,H1B,1,2.66,2.66,2.660,
SYO,H28A,1,3.43,3.43,3.430,
SYO,H28B,1,3.76,3.76,3.760,
SYO,H2A,1,2.70,2.70,2.700,
SYO,H2B,1,2.70,2.70,2.700,
SYO,H30A,1,0.91,0.91,0.910,
SYO,H30B,1,0.91,0.91,0.910,
SYO,H30C,1,0.91,0.91,0.910,
SYO,H31A,1,0.94,0.94,0.940,
SYO,H31B,1,0.94,0.94,0.940,
SYO,H31C,1,0.94,0.94,0.940,
SYO,H32A,1,4.03,4.03,4.030,
SYO,H36A,1,8.02,8.02,8.020,
SYO,H37A,1,3.46,3.46,3.460,
SYO,H37B,1,3.54,3.54,3.540,
SYO,H38A,1,2.48,2.48,2.480,
SYO,H38B,1,2.48,2.48,2.480,
SYO,H41A,1,8.16,8.16,8.160,
SYO,H42A,1,3.28,3.28,3.280,
SYO,H42B,1,3.33,3.33,3.330,
SYO,H43A,1,2.60,2.60,2.600,
SYO,H43B,1,2.60,2.60,2.600,
SYO,H4A,1,2.21,2.21,2.210,
SYO,H4B,1,2.08,2.08,2.080,
SYO,H5A,1,0.91,0.91,0.910,
SYO,H5B,1,0.91,0.91,0.910,
SYO,H6A,1,0.67,0.67,0.670,
SYO,H6B,1,0.73,0.73,0.730,
SYO,H7A,1,0.73,0.73,0.730,
SYO,H7B,1,0.83,0.83,0.830,
SYO,H8A,1,0.59,0.59,0.590,
SYO,H8B,1,0.59,0.59,0.590,
SYO,H8C,1,0.59,0.59,0.590,
T23,HA,1,3.647,3.647,3.647,
T23,HB1,1,2.106,2.106,2.106,
T23,HB2,1,1.734,1.734,1.734,
T23,HD1,1,1.695,1.695,1.695,
T23,HE1,1,3.418,3.418,3.418,
T23,HE2,1,2.936,2.936,2.936,
T23,HG1,1,1.869,1.869,1.869,
T23,HG2,1,1.503,1.503,1.503,
T23,HZ1,1,2.620,2.620,2.620,
T23,HZ2,1,2.620,2.620,2.620,
T23,HZ3,1,2.620,2.620,2.620,
T39,H1',4,5.871,5.940,5.906,0.040
T39,H2',2,4.225,4.252,4.239,0.019
T39,H3,4,13.484,13.900,13.692,0.240
T39,H3',4,4.400,4.505,4.453,0.061
T39,H6,4,7.310,7.849,7.580,0.311
T39,H7,2,4.225,4.252,4.239,0.019
T39,H7*,4,1.078,1.476,1.277,0.230
T39,HCA*,2,4.188,4.188,4.188,0.000
T3P,H1',1,6.342,6.342,6.342,
T3P,H2',1,3.090,3.090,3.090,
T3P,H2'',1,2.094,2.094,2.094,
T3P,H3,1,13.29,13.29,13.290,
T3P,H3',1,5.096,5.096,5.096,
T3P,H4',1,4.821,4.821,4.821,
T3P,H5',1,4.100,4.100,4.100,
T3P,H5'',1,3.945,3.945,3.945,
T3P,H51,1,1.295,1.295,1.295,
T3P,H52,1,1.295,1.295,1.295,
T3P,H53,1,1.295,1.295,1.295,
T3P,H6,1,7.403,7.403,7.403,
T3P,P,1,-1.92,-1.92,-1.920,
TA3,H1',1,5.31,5.31,5.310,
TA3,H2',1,2.08,2.08,2.080,
TA3,H2'',1,2.18,2.18,2.180,
TA3,H3',1,4.75,4.75,4.750,
TA3,H4',1,3.99,3.99,3.990,
TA3,H6,1,4.75,4.75,4.750,
TA3,H71,1,1.78,1.78,1.780,
TA3,H72,1,1.78,1.78,1.780,
TA3,H73,1,1.78,1.78,1.780,
TAF,H1',2,6.004,6.290,6.147,0.202
TAF,H2',1,5.428,5.428,5.428,
TAF,H2'',1,5.620,5.620,5.620,
TAF,H3,2,11.390,14.128,12.759,1.936
TAF,H3',2,4.691,4.970,4.831,0.197
TAF,H4',2,4.270,4.342,4.306,0.051
TAF,H5',1,4.085,4.085,4.085,
TAF,H5'',1,4.262,4.262,4.262,
TAF,H6,2,6.902,8.020,7.461,0.791
TAF,H71,2,1.292,2.030,1.661,0.522
TAF,H72,2,1.292,2.030,1.661,0.522
TAF,H73,2,1.292,2.030,1.661,0.522
TAL,C1',1,86.1,86.1,86.100,
TAL,C1A,1,63.4,63.4,63.400,
TAL,C3',1,74.8,74.8,74.800,
TAL,C3A,1,124.4,124.4,124.400,
TAL,C6,1,134.9,134.9,134.900,
TAL,C7A,1,51.8,51.8,51.800,
TAL,H1',1,5.76,5.76,5.760,
TAL,H1A,1,4.75,4.75,4.750,
TAL,H1B,1,5.12,5.12,5.120,
TAL,H2',1,1.94,1.94,1.940,
TAL,H2'',1,2.77,2.77,2.770,
TAL,H3,1,13.95,13.95,13.950,
TAL,H3',1,4.79,4.79,4.790,
TAL,H3A,1,8.32,8.32,8.320,
TAL,H4',1,4.17,4.17,4.170,
TAL,H6,1,7.00,7.00,7.000,
TAL,H7,1,1.63,1.63,1.630,
TAL,H7A,1,4.68,4.68,4.680,
TAL,H7B,1,5.00,5.00,5.000,
TCJ,C1',6,90.798,91.999,91.366,0.555
TCJ,C2',2,49.880,49.954,49.917,0.052
TCJ,C4',7,91.883,93.624,92.855,0.697
TCJ,C6,4,137.867,140.731,138.597,1.423
TCJ,C6',6,24.818,25.644,25.257,0.340
TCJ,C7',5,40.465,42.392,41.461,0.857
TCJ,C8',5,16.994,18.420,17.380,0.586
TCJ,H1',13,5.845,6.250,6.024,0.116
TCJ,H2',13,2.401,3.184,2.916,0.285
TCJ,H2'',13,2.768,3.343,3.173,0.220
TCJ,H4',12,4.713,4.920,4.827,0.071
TCJ,H41,10,8.665,9.041,8.872,0.114
TCJ,H42,11,6.684,7.046,6.796,0.109
TCJ,H6,13,7.197,8.124,7.513,0.313
TCJ,H6',8,1.834,2.017,1.916,0.066
TCJ,H7',13,1.702,2.442,2.007,0.192
TCJ,H7'',13,1.930,2.797,2.552,0.277
TCJ,H71,12,1.506,2.188,1.724,0.219
TCJ,H72,12,1.506,2.188,1.724,0.219
TCJ,H73,12,1.506,2.188,1.724,0.219
TCJ,H8',8,1.156,1.340,1.247,0.075
TCJ,H8'',8,1.697,1.847,1.780,0.048
TCY,C1',2,90.987,91.137,91.062,0.106
TCY,C2,1,153.082,153.082,153.082,
TCY,C4',1,92.624,92.624,92.624,
TCY,C6',1,25.641,25.641,25.641,
TCY,C7',1,42.332,42.332,42.332,
TCY,C8,1,139.771,139.771,139.771,
TCY,C8',1,17.295,17.295,17.295,
TCY,H1',6,6.472,6.603,6.552,0.045
TCY,H2,6,6.286,7.563,7.234,0.470
TCY,H2',6,3.269,3.425,3.342,0.070
TCY,H2'A,6,3.460,3.568,3.488,0.042
TCY,H4',1,4.711,4.711,4.711,
TCY,H6',3,1.860,1.991,1.921,0.066
TCY,H7',6,1.587,1.771,1.683,0.077
TCY,H7'A,6,2.560,2.744,2.665,0.084
TCY,H8,6,7.874,8.323,8.120,0.151
TCY,H8',3,1.245,1.309,1.275,0.032
TCY,H8'A,3,1.844,1.867,1.858,0.012
TCY,HN6,3,8.194,8.489,8.387,0.167
TCY,HN6A,3,6.385,6.620,6.496,0.118
TEE,CA,1,132.158,132.158,132.158,
TEE,CB,1,157.063,157.063,157.063,
TEE,HA,1,6.964,6.964,6.964,
TEE,HB2,1,5.725,5.725,5.725,
TEE,HN1,1,8.570,8.570,8.570,
THM,H1',1,6.47,6.47,6.470,
THM,H2'1,1,2.35,2.35,2.350,
THM,H2'2,1,2.53,2.53,2.530,
THM,H6,1,7.84,7.84,7.840,
THM,HM51,1,1.93,1.93,1.930,
THM,HM52,1,1.93,1.93,1.930,
THM,HM53,1,1.93,1.93,1.930,
THM,HN3,1,11.40,11.40,11.400,
THY,H1',1,6.152,6.152,6.152,
THY,H2',2,2.115,2.226,2.171,0.078
THY,H2'',2,2.468,2.528,2.498,0.042
THY,H3,2,13.445,13.883,13.664,0.310
THY,H3',1,4.888,4.888,4.888,
THY,H6,2,7.248,7.542,7.395,0.208
THY,H71,2,1.248,1.755,1.502,0.359
THY,H72,2,1.248,1.755,1.502,0.359
THY,H73,2,1.248,1.755,1.502,0.359
TME,H11,1,1.16,1.16,1.160,
TME,H12,1,1.16,1.16,1.160,
TME,H13,1,1.16,1.16,1.160,
TME,H21,1,2.53,2.53,2.530,
TME,H22,1,2.68,2.68,2.680,
TME,H31,1,1.53,1.53,1.530,
TME,H32,1,1.53,1.53,1.530,
TME,H33,1,1.83,1.83,1.830,
TMQ,H,1,15.47,15.47,15.470,
TMQ,H2',1,5.19,5.19,5.190,
TMQ,H3',1,3.37,3.37,3.370,
TMQ,H4',1,3.78,3.78,3.780,
TMQ,H5,1,2.65,2.65,2.650,
TMQ,H5',1,3.96,3.96,3.960,
TMQ,H6',1,6.37,6.37,6.370,
TMQ,H7,1,7.38,7.38,7.380,
TMQ,H8,1,7.06,7.06,7.060,
TMQ,H91,1,4.11,4.11,4.110,
TMQ,H92,1,4.48,4.48,4.480,
TMQ,HN10,1,5.99,5.99,5.990,
TMQ,HN21,1,9.53,9.53,9.530,
TMQ,HN22,1,5.76,5.76,5.760,
TMQ,HN41,1,9.52,9.52,9.520,
TMQ,HN42,1,7.88,7.88,7.880,
TOP,1H14,1,3.680,3.680,3.680,
TOP,1H20,1,3.533,3.533,3.533,
TOP,1H9,1,3.055,3.055,3.055,
TOP,1HN4,1,10.490,10.490,10.490,
TOP,1HN7,1,9.160,9.160,9.160,
TOP,2H14,1,3.680,3.680,3.680,
TOP,2H20,1,3.533,3.533,3.533,
TOP,2H9,1,3.463,3.463,3.463,
TOP,2HN4,1,5.750,5.750,5.750,
TOP,2HN7,1,7.100,7.100,7.100,
TOP,3H14,1,3.680,3.680,3.680,
TOP,3H20,1,3.533,3.533,3.533,
TOP,AH1*,1,7.15,7.15,7.150,
TOP,AH2,1,7.99,7.99,7.990,
TOP,AH2*,1,4.064,4.064,4.064,
TOP,AH3*,1,4.143,4.143,4.143,
TOP,AH4*,1,4.577,4.577,4.577,
TOP,AH51,1,4.405,4.405,4.405,
TOP,AH52,1,4.65,4.65,4.650,
TOP,AH61,1,9.403,9.403,9.403,
TOP,AH8,1,8.302,8.302,8.302,
TOP,H1,1,6.253,6.253,6.253,
TOP,H11,1,6.545,6.545,6.545,
TOP,H2,1,14.250,14.250,14.250,
TOP,H21,1,4.972,4.972,4.972,
TOP,NH1*,1,4.719,4.719,4.719,
TOP,NH2,1,7.514,7.514,7.514,
TOP,NH3*,1,3.896,3.896,3.896,
TOP,NH4*,1,4.082,4.082,4.082,
TOP,NH5,1,5.67,5.67,5.670,
TOP,NH51,1,4.075,4.075,4.075,
TOP,NH52,1,3.132,3.132,3.132,
TOP,NH6,1,6.468,6.468,6.468,
TOP,NH71,1,7.198,7.198,7.198,
TOP,NH72,1,8.52,8.52,8.520,
TPL,CA,1,56.2,56.2,56.200,
TPL,CB1,1,29.5,29.5,29.500,
TPL,CD1,1,126.0,126.0,126.000,
TPL,CD2,1,130.5,130.5,130.500,
TPL,CE2,1,139.1,139.1,139.100,
TPL,CE3,1,120.5,120.5,120.500,
TPL,CG,1,113.7,113.7,113.700,
TPL,CH2,1,123.7,123.7,123.700,
TPL,CZ2,1,114.4,114.4,114.400,
TPL,CZ3,1,121.1,121.1,121.100,
TPL,H,1,7.57,7.57,7.570,
TPL,H2,1,3.69,3.69,3.690,
TPL,HA,1,4.24,4.24,4.240,
TPL,HB1,1,2.94,2.94,2.940,
TPL,HB2,1,2.83,2.83,2.830,
TPL,HD1,1,7.26,7.26,7.260,
TPL,HE1,1,10.47,10.47,10.470,
TPL,HE3,1,7.44,7.44,7.440,
TPL,HH2,1,7.04,7.04,7.040,
TPL,HZ2,1,7.43,7.43,7.430,
TPL,HZ3,1,6.93,6.93,6.930,
TPL_2,C1,2,29.212,64.601,46.907,25.024
TPL_2,C4,1,28.608,28.608,28.608,
TPL_2,C5,3,18.898,20.656,19.497,1.004
TPL_2,H11,2,2.097,4.328,3.213,1.578
TPL_2,H12,2,1.988,4.243,3.116,1.595
TPL_2,H2,3,5.009,5.654,5.242,0.358
TPL_2,H41,3,1.591,1.891,1.691,0.173
TPL_2,H42,2,1.538,1.591,1.565,0.037
TPL_2,H51,3,1.517,1.606,1.553,0.047
TPL_2,H52,3,1.517,1.606,1.553,0.047
TPL_2,H53,3,1.517,1.606,1.553,0.047
TPLi,H11,3,2.030,4.294,2.790,1.303
TPLi,H12,3,1.961,4.234,2.722,1.309
TPLi,H2,3,5.074,5.276,5.151,0.109
TPLi,H41,2,1.584,1.650,1.617,0.047
TPLi,H42,2,1.570,1.584,1.577,0.010
TPLi,H51,1,1.227,1.227,1.227,
TPLi,H52,1,1.227,1.227,1.227,
TPLi,H53,1,1.227,1.227,1.227,
TPO,C,12,172.061,175.735,173.469,1.062
TPO,CA,27,59.381,66.996,61.353,1.665
TPO,CB,28,69.28,81.929,72.700,2.483
TPO,CG2,5,20.504,26.461,22.287,2.379
TPO,H,34,7.855,10.233,8.872,0.530
TPO,HA,10,3.847,5.028,4.368,0.317
TPO,HB,11,3.906,4.49,4.254,0.194
TPO,HG2,2,1.157,1.352,1.255,0.138
TPO,HG21,8,0.812,1.418,1.261,0.196
TPO,HG22,7,0.812,1.418,1.262,0.212
TPO,HG23,7,0.812,1.418,1.262,0.212
TPO,N,29,103.219,132.719,120.391,5.122
TRM,H,1,8.41,8.41,8.410,
TRM,HA,1,4.402,4.402,4.402,
TRM,HB2,1,3.097,3.097,3.097,
TRM,HB3,1,3.101,3.101,3.101,
TRM,HD1,1,7.04,7.04,7.040,
TRM,HE3,1,7.285,7.285,7.285,
TRM,HH2,1,6.92,6.92,6.920,
TRM,HM1,1,7.841,7.841,7.841,
TRM,HM2,1,7.841,7.841,7.841,
TRM,HM3,1,7.841,7.841,7.841,
TRM,HZ2,1,7.266,7.266,7.266,
TRM,HZ3,1,6.864,6.864,6.864,
TRR,H1,1,14.850,14.850,14.850,
TRR,H12,1,5.886,5.886,5.886,
TRR,H16,1,5.886,5.886,5.886,
TRR,H171,1,3.899,3.899,3.899,
TRR,H172,1,3.899,3.899,3.899,
TRR,H173,1,3.899,3.899,3.899,
TRR,H181,1,3.849,3.849,3.849,
TRR,H182,1,3.849,3.849,3.849,
TRR,H183,1,3.849,3.849,3.849,
TRR,H191,1,3.448,3.448,3.448,
TRR,H192,1,3.448,3.448,3.448,
TRR,H193,1,3.448,3.448,3.448,
TRR,H21,1,10.460,10.460,10.460,
TRR,H22,1,5.900,5.900,5.900,
TRR,H41,1,9.180,9.180,9.180,
TRR,H42,1,7.180,7.180,7.180,
TRR,H6,1,6.520,6.520,6.520,
TRR,H71,1,3.220,3.220,3.220,
TRR,H72,1,3.740,3.740,3.740,
TS9,C,4,168.7,169.7,169.100,0.455
TS9,CA,4,56.0,57.6,56.475,0.754
TS9,CB,4,79.2,80.3,80.025,0.550
TS9,CD1,4,18.9,19.3,19.050,0.191
TS9,CG1,4,70.4,72.0,70.850,0.772
TS9,CG2,4,20.4,22.8,21.100,1.149
TS9,H,4,7.63,8.08,7.863,0.251
TS9,HA,4,5.60,5.89,5.765,0.121
TS9,HD11,4,1.28,1.38,1.335,0.041
TS9,HD12,4,1.28,1.38,1.335,0.041
TS9,HD13,4,1.28,1.38,1.335,0.041
TS9,HG1,4,3.83,3.90,3.860,0.029
TS9,HG21,4,1.17,1.24,1.210,0.029
TS9,HG22,4,1.17,1.24,1.210,0.029
TS9,HG23,4,1.17,1.24,1.210,0.029
TS9,N,4,116.9,121.2,119.250,1.771
TSA,H2,1,6.49,6.49,6.490,
TSA,H3,1,5.69,5.69,5.690,
TSA,H4,1,4.37,4.37,4.370,
TSA,H5,1,4.30,4.30,4.300,
TSA,H61,1,1.74,1.74,1.740,
TSA,H62,1,1.93,1.93,1.930,
TSA,H8,1,4.00,4.00,4.000,
TSA,H91,1,1.82,1.82,1.820,
TSA,H92,1,2.41,2.41,2.410,
TSA,HO5,1,6.33,6.33,6.330,
TTD,H1',1,5.30,5.30,5.300,
TTD,H2',1,2.02,2.02,2.020,
TTD,H2'',1,2.02,2.02,2.020,
TTD,H3R,1,4.93,4.93,4.930,
TTD,H4R,1,3.91,3.91,3.910,
TTD,H6,1,4.11,4.11,4.110,
TTD,H71,1,1.44,1.44,1.440,
TTD,H72,1,1.44,1.44,1.440,
TTD,H73,1,1.44,1.44,1.440,
TTD,HT,1,12.93,12.93,12.930,
TTD,P,1,-2.54,-2.54,-2.540,
TUT,HA,1,4.149,4.149,4.149,
TUT,HB1,1,2.930,2.930,2.930,
TUT,HB2,1,2.687,2.687,2.687,
TUT,HE1,1,7.099,7.099,7.099,
TUT,HE2,1,6.720,6.720,6.720,
TUT,HI1,1,2.375,2.375,2.375,
TUT,HM1,1,1.082,1.082,1.082,
TUT,HQ1,1,1.588,1.588,1.588,
TUT,HQ2,1,1.932,1.932,1.932,
TUV,HA,1,4.343,4.343,4.343,
TUV,HB,1,1.853,1.853,1.853,
TUV,HB2,1,8.069,8.069,8.069,
TUV,HD11,1,5.337,5.337,5.337,
TUV,HD12,1,6.130,6.130,6.130,
TUV,HD21,1,2.686,2.686,2.686,
TUV,HD22,1,2.603,2.603,2.603,
TUV,HE2,1,5.823,5.823,5.823,
TUV,HG11,1,0.709,0.709,0.709,
TUV,HG12,1,0.709,0.709,0.709,
TUV,HG13,1,0.709,0.709,0.709,
TUV,HG21,1,1.027,1.027,1.027,
TUV,HG22,1,1.027,1.027,1.027,
TUV,HG23,1,1.027,1.027,1.027,
TUV,HK11,1,2.089,2.089,2.089,
TUV,HK12,1,2.006,2.006,2.006,
TUV,HL1,1,1.732,1.732,1.732,
TUV,HL21,1,2.168,2.168,2.168,
TUV,HL22,1,2.168,2.168,2.168,
TUV,HL23,1,2.168,2.168,2.168,
TUV,HM1,1,0.682,0.682,0.682,
TUV,HM2,1,0.682,0.682,0.682,
TUV,HM3,1,0.682,0.682,0.682,
TUV,HN1,1,0.715,0.715,0.715,
TUV,HN2,1,0.715,0.715,0.715,
TUV,HN3,1,0.715,0.715,0.715,
TUX,C1G,1,71.67,71.67,71.670,
TUX,C2G,1,41.14,41.14,41.140,
TUX,C3G,1,80.20,80.20,80.200,
TUX,C4G,1,71.48,71.48,71.480,
TUX,C5G,1,83.75,83.75,83.750,
TUX,C6G,1,64.90,64.90,64.900,
TUX,H1G1,1,4.07,4.07,4.070,
TUX,H2A2,1,2.19,2.19,2.190,
TUX,H2A3,1,2.19,2.19,2.190,
TUX,H2G,1,2.16,2.16,2.160,
TUX,H2G2,1,3.30,3.30,3.300,
TUX,H3A2,1,1.43,1.43,1.430,
TUX,H3A3,1,1.43,1.43,1.430,
TUX,H3G,1,4.84,4.84,4.840,
TUX,H42,1,1.30,1.30,1.300,
TUX,H4A3,1,1.30,1.30,1.300,
TUX,H4G,1,3.25,3.25,3.250,
TUX,H5A2,1,1.18,1.18,1.180,
TUX,H5A3,1,1.18,1.18,1.180,
TUX,H5G,1,3.40,3.40,3.400,
TUX,H6A2,1,1.10,1.10,1.100,
TUX,H6A3,1,1.10,1.10,1.100,
TUX,H6G1,1,4.09,4.09,4.090,
TUX,H6G2,1,3.44,3.44,3.440,
TUX,H7A2,1,1.10,1.10,1.100,
TUX,H7A3,1,1.10,1.10,1.100,
TUX,H8A2,1,1.10,1.10,1.100,
TUX,H8A3,1,1.10,1.10,1.100,
TUX,H9A2,1,1.10,1.10,1.100,
TUX,H9A3,1,1.10,1.10,1.100,
TUX,HAA2,1,1.10,1.10,1.100,
TUX,HAA3,1,1.10,1.10,1.100,
TUX,HBA2,1,1.10,1.10,1.100,
TUX,HBA3,1,1.10,1.10,1.100,
TUX,HCA2,1,0.88,0.88,0.880,
TUX,HCA3,1,0.88,0.88,0.880,
TUX,HDA2,1,1.10,1.10,1.100,
TUX,HDA3,1,1.10,1.10,1.100,
TUX,HEA1,1,0.64,0.64,0.640,
TUX,HEA2,1,0.64,0.64,0.640,
TUX,HEA3,1,0.64,0.64,0.640,
TUX,HZH2,1,2.41,2.41,2.410,
TUX,HZH3,1,2.76,2.76,2.760,
TYC,CA,1,57.666,57.666,57.666,
TYC,CB,1,38.686,38.686,38.686,
TYC,H,2,8,8.210,8.105,0.148
TYC,HA,3,4.511,4.61,4.564,0.050
TYC,HB1,3,3.073,3.14,3.101,0.035
TYC,HB2,3,2.82,2.92,2.882,0.054
TYC,HD1,3,7.13,7.15,7.137,0.012
TYC,HD2,3,7.130,7.15,7.137,0.012
TYC,HE1,3,6.787,6.85,6.812,0.033
TYC,HE2,3,6.787,6.85,6.812,0.033
TYC,HT21,3,7.159,7.49,7.356,0.174
TYC,HT22,3,7.42,8.03,7.656,0.327
TYC,N,1,122.839,122.839,122.839,
TYS,C,8,176.058,176.081,176.064,0.011
TYS,CA,8,58.165,58.793,58.573,0.258
TYS,CB,8,39.311,39.925,39.537,0.271
TYS,CD1,8,133.085,133.603,133.344,0.196
TYS,CE1,8,124.281,124.799,124.540,0.196
TYS,H,15,7.747,8.965,8.167,0.249
TYS,HA,15,4.426,4.791,4.615,0.109
TYS,HB2,17,2.86,3.452,3.076,0.143
TYS,HB3,17,2.712,3.219,3.055,0.163
TYS,HD1,17,6.617,7.827,7.212,0.229
TYS,HD2,17,6.617,7.827,7.212,0.229
TYS,HE1,17,6.900,7.463,7.225,0.112
TYS,HE2,17,6.900,7.463,7.225,0.112
TYS,N,8,120.283,123.118,120.992,1.312
TYU,H1',1,5.912,5.912,5.912,
TYU,H2',1,4.291,4.291,4.291,
TYU,H3',1,4.279,4.279,4.279,
TYU,H4',1,4.269,4.269,4.269,
TYU,H5,1,5.610,5.610,5.610,
TYU,H5',1,3.634,3.634,3.634,
TYU,H5'',1,3.624,3.624,3.624,
TYU,H6,1,7.669,7.669,7.669,
TYU,HA,1,4.652,4.652,4.652,
TYU,HB2,1,3.066,3.066,3.066,
TYU,HB3,1,2.972,2.972,2.972,
TYU,HD1,1,7.139,7.139,7.139,
TYU,HD2,1,7.134,7.134,7.134,
TYU,HE1,1,7.064,7.064,7.064,
TYU,HE2,1,7.014,7.014,7.014,
TYU,HN,1,8.533,8.533,8.533,
TYU,HO2',1,6.680,6.680,6.680,
U37,H1',5,5.442,5.662,5.536,0.082
U37,H2',5,4.128,4.499,4.326,0.140
U37,H3',5,4.257,4.588,4.444,0.135
U37,H4',5,4.187,4.551,4.337,0.147
U37,H5,5,4.993,5.692,5.428,0.284
U37,H5',5,4.134,4.605,4.350,0.177
U37,H5'',5,3.904,4.129,4.062,0.090
U37,H6,5,7.414,7.998,7.773,0.219
UAR,H1',2,5.712,5.851,5.782,0.098
UAR,H2',2,4.409,4.437,4.423,0.020
UAR,H3,2,13.839,14.029,13.934,0.134
UAR,H4',2,4.021,4.143,4.082,0.086
UAR,H5,2,5.123,5.419,5.271,0.209
UAR,H6,2,7.171,7.321,7.246,0.106
UDP,C1',2,91.4,91.4,91.400,0.000
UDP,C2',2,76.2,76.2,76.200,0.000
UDP,C3',2,72.5,72.5,72.500,0.000
UDP,C4',2,86.0,86.0,86.000,0.000
UDP,C5,2,105.5,105.5,105.500,0.000
UDP,C5',2,67.8,67.8,67.800,0.000
UDP,C6,2,144.2,144.2,144.200,0.000
UDP,H1',2,5.98,5.98,5.980,0.000
UDP,H2',2,4.37,4.37,4.370,0.000
UDP,H3',2,4.36,4.36,4.360,0.000
UDP,H4',2,4.28,4.28,4.280,0.000
UDP,H5,2,5.97,5.97,5.970,0.000
UDP,H5',2,4.19,4.19,4.190,0.000
UDP,H5'',2,4.19,4.19,4.190,0.000
UDP,H6,2,7.96,7.96,7.960,0.000
UED,C21,3,76.0,90.8,85.667,8.377
UED,H29,3,4.82,5.65,5.127,0.455
UFT,H1',1,5.984,5.984,5.984,
UFT,H2',1,5.237,5.237,5.237,
UFT,H4',1,4.487,4.487,4.487,
UFT,H5,1,5.389,5.389,5.389,
UFT,H6,1,7.523,7.523,7.523,
UFT,HN3,1,13.818,13.818,13.818,
UN1,H4,2,3.870,4.100,3.985,0.163
UN1,H4N1,1,7.612,7.612,7.612,
UPV,H1',1,5.632,5.632,5.632,
UPV,H2',1,4.523,4.523,4.523,
UPV,H3',1,4.589,4.589,4.589,
UPV,H4',1,4.26,4.26,4.260,
UPV,H5,1,5.353,5.353,5.353,
UPV,H5',1,3.997,3.997,3.997,
UPV,H5'A,1,4.465,4.465,4.465,
UPV,H6,1,7.791,7.791,7.791,
UPV,HA,1,5.424,5.424,5.424,
UPV,HAA,1,5.655,5.655,5.655,
UPV,HD1B,1,1.206,1.206,1.206,
UPV,HN3,1,13.124,13.124,13.124,
UQ1,C1,1,135.534,135.534,135.534,
UQ1,C10,1,20.609,20.609,20.609,
UQ1,C11,1,43.400,43.400,43.400,
UQ1,C12,1,30.300,30.300,30.300,
UQ1,C15,1,20.700,20.700,20.700,
UQ1,C16,1,43.000,43.000,43.000,
UQ1,C17,1,29.800,29.800,29.800,
UQ1,C1M,1,15.859,15.859,15.859,
UQ1,C2,1,154.709,154.709,154.709,
UQ1,C20,1,20.200,20.200,20.200,
UQ1,C21,1,42.600,42.600,42.600,
UQ1,C22,1,29.300,29.300,29.300,
UQ1,C25,1,19.700,19.700,19.700,
UQ1,C26,1,42.200,42.200,42.200,
UQ1,C27,1,28.800,28.800,28.800,
UQ1,C3,1,142.410,142.410,142.410,
UQ1,C30,1,19.200,19.200,19.200,
UQ1,C31,1,41.800,41.800,41.800,
UQ1,C32,1,28.300,28.300,28.300,
UQ1,C35,1,18.700,18.700,18.700,
UQ1,C36,1,41.400,41.400,41.400,
UQ1,C37,1,27.800,27.800,27.800,
UQ1,C38,1,124.750,124.750,124.750,
UQ1,C39,1,136.254,136.254,136.254,
UQ1,C3M,1,63.804,63.804,63.804,
UQ1,C4,1,142.410,142.410,142.410,
UQ1,C40,1,18.200,18.200,18.200,
UQ1,C41,1,41.517,41.517,41.517,
UQ1,C42,1,28.260,28.260,28.260,
UQ1,C43,1,126.157,126.157,126.157,
UQ1,C44,1,135.212,135.212,135.212,
UQ1,C45,1,17.920,17.920,17.920,
UQ1,C46,1,28.177,28.177,28.177,
UQ1,C4M,1,63.804,63.804,63.804,
UQ1,C5,1,154.709,154.709,154.709,
UQ1,C6,1,127.427,127.427,127.427,
UQ1,C7,1,26.580,26.580,26.580,
UQ1,C8,1,123.680,123.680,123.680,
UQ1,C9,1,140.100,140.100,140.100,
UQ8,C1,1,135.534,135.534,135.534,
UQ8,C10,1,20.609,20.609,20.609,
UQ8,C11,1,43.400,43.400,43.400,
UQ8,C12,1,30.300,30.300,30.300,
UQ8,C15,1,20.700,20.700,20.700,
UQ8,C16,1,43.000,43.000,43.000,
UQ8,C17,1,29.800,29.800,29.800,
UQ8,C1M,1,15.859,15.859,15.859,
UQ8,C2,1,154.709,154.709,154.709,
UQ8,C20,1,20.200,20.200,20.200,
UQ8,C21,1,42.600,42.600,42.600,
UQ8,C22,1,29.300,29.300,29.300,
UQ8,C25,1,19.700,19.700,19.700,
UQ8,C26,1,42.200,42.200,42.200,
UQ8,C27,1,28.800,28.800,28.800,
UQ8,C3,1,142.410,142.410,142.410,
UQ8,C30,1,19.200,19.200,19.200,
UQ8,C31,1,41.800,41.800,41.800,
UQ8,C32,1,28.300,28.300,28.300,
UQ8,C35,1,18.700,18.700,18.700,
UQ8,C36,1,41.400,41.400,41.400,
UQ8,C37,1,27.800,27.800,27.800,
UQ8,C38,1,124.750,124.750,124.750,
UQ8,C39,1,136.254,136.254,136.254,
UQ8,C3M,1,63.804,63.804,63.804,
UQ8,C4,1,142.410,142.410,142.410,
UQ8,C40,1,18.200,18.200,18.200,
UQ8,C41,1,41.517,41.517,41.517,
UQ8,C42,1,28.260,28.260,28.260,
UQ8,C43,1,126.157,126.157,126.157,
UQ8,C44,1,135.212,135.212,135.212,
UQ8,C45,1,17.920,17.920,17.920,
UQ8,C46,1,28.177,28.177,28.177,
UQ8,C4M,1,63.804,63.804,63.804,
UQ8,C5,1,154.709,154.709,154.709,
UQ8,C6,1,127.427,127.427,127.427,
UQ8,C7,1,26.580,26.580,26.580,
UQ8,C8,1,123.680,123.680,123.680,
UQ8,C9,1,140.100,140.100,140.100,
UVR,BT,3,2.125,2.33,2.256,0.114
UVR,C,29,33.238,174.748,165.111,25.466
UVR,C1,23,134.147,140.416,137.610,1.408
UVR,C21,21,125.839,128.188,127.064,0.683
UVR,C22,21,125.839,129.827,127.683,1.265
UVR,C3,7,125.183,126.891,126.095,0.563
UVR,C31,9,125.273,127.176,125.791,0.593
UVR,C32,9,127.176,132.443,131.514,1.645
UVR,C4,16,126.409,129.589,128.006,0.914
UVR,C5,7,127.103,133.623,131.211,2.791
UVR,C6,9,127.749,131.651,130.007,1.057
UVR,CA,43,58.477,64.637,61.560,1.544
UVR,CB,43,44.194,49.631,46.944,1.393
UVR,CD,43,57.754,60.561,58.939,0.712
UVR,CE,20,170.806,173.978,171.933,0.929
UVR,CG,43,27.479,35.967,31.373,2.365
UVR,CM1,7,73.804,74.801,74.334,0.355
UVR,CM10,7,15.507,16.785,16.242,0.413
UVR,CM2,7,46.275,46.556,46.440,0.113
UVR,CM3,7,23.121,23.323,23.184,0.070
UVR,CM4,7,33.681,33.951,33.813,0.106
UVR,CM5,7,30.680,30.925,30.805,0.106
UVR,CM6,7,38.776,39.900,39.362,0.448
UVR,CM7,7,21.500,22.213,21.827,0.312
UVR,CM8,7,25.880,26.255,26.045,0.135
UVR,CM9,7,20.398,20.993,20.672,0.268
UVR,CT1,6,26.924,27.100,27.034,0.063
UVR,CT2,6,26.924,27.100,27.034,0.063
UVR,CT3,6,26.924,27.100,27.034,0.063
UVR,CZ,13,52.045,52.585,52.313,0.203
UVR,H,6,7.263,8.355,7.839,0.420
UVR,H1,7,4.040,4.238,4.160,0.089
UVR,H101,7,0.475,0.592,0.536,0.034
UVR,H102,7,0.475,0.592,0.536,0.034
UVR,H103,7,0.475,0.592,0.536,0.034
UVR,H2,7,0.908,1.093,1.018,0.083
UVR,H21,26,7.172,7.778,7.468,0.179
UVR,H22,26,7.172,7.778,7.468,0.179
UVR,H3,15,7.348,7.844,7.625,0.134
UVR,H31,30,0.818,7.745,5.849,2.616
UVR,H32,30,0.744,7.745,5.822,2.667
UVR,H4,18,7.183,7.605,7.396,0.119
UVR,H41,7,0.554,1.523,1.120,0.445
UVR,H42,7,0.540,1.533,0.993,0.479
UVR,H5,18,1.228,7.801,7.094,1.489
UVR,H6,17,7.044,8.362,7.748,0.393
UVR,H61,7,-0.250,1.172,0.518,0.469
UVR,H62,7,-0.353,1.067,0.350,0.555
UVR,H71,7,0.591,0.753,0.676,0.072
UVR,H72,7,0.591,0.753,0.676,0.072
UVR,H73,7,0.591,0.753,0.676,0.072
UVR,H8,7,1.483,1.598,1.515,0.039
UVR,H91,7,0.717,0.768,0.746,0.018
UVR,H92,7,0.717,0.768,0.746,0.018
UVR,H93,7,0.717,0.768,0.746,0.018
UVR,HA,58,3.523,5.903,4.904,0.630
UVR,HA2,1,3.775,3.775,3.775,
UVR,HA3,1,3.775,3.775,3.775,
UVR,HB,44,2.335,3.699,3.068,0.365
UVR,HB1,2,1.632,1.885,1.759,0.179
UVR,HB2,13,1.3,2.872,1.653,0.406
UVR,HB3,13,1.3,2.872,1.653,0.406
UVR,HD,43,2.981,5.516,3.878,0.617
UVR,HD1,1,7.059,7.059,7.059,
UVR,HD11,3,0.733,0.871,0.804,0.069
UVR,HD12,3,0.733,0.871,0.804,0.069
UVR,HD13,3,0.733,0.871,0.804,0.069
UVR,HD2,5,0.928,1.681,1.180,0.307
UVR,HD21,3,0.733,0.894,0.833,0.087
UVR,HD22,3,0.733,0.894,0.833,0.087
UVR,HD23,3,0.733,0.894,0.833,0.087
UVR,HD3,5,0.928,1.681,1.180,0.307
UVR,HE1,1,10.869,10.869,10.869,
UVR,HE2,4,1.107,2.965,1.719,0.842
UVR,HE3,5,1.107,7.574,2.890,2.718
UVR,HF2,2,2.359,2.364,2.362,0.004
UVR,HF3,2,2.359,2.364,2.362,0.004
UVR,HG,4,1.222,1.594,1.477,0.173
UVR,HG1,43,1.247,2.716,2.095,0.354
UVR,HG2,48,1.073,2.659,1.954,0.402
UVR,HG3,5,1.073,1.527,1.223,0.178
UVR,HM5,7,1.001,1.226,1.128,0.089
UVR,HN,8,3.128,8.661,6.811,2.223
UVR,HT,1,7.84,7.84,7.840,
UVR,HT11,6,1.048,1.163,1.107,0.037
UVR,HT12,6,1.048,1.163,1.107,0.037
UVR,HT13,6,1.048,1.163,1.107,0.037
UVR,HT21,6,1.048,1.163,1.107,0.037
UVR,HT22,6,1.048,1.163,1.107,0.037
UVR,HT23,6,1.048,1.163,1.107,0.037
UVR,HT31,6,1.048,1.163,1.107,0.037
UVR,HT32,6,1.048,1.163,1.107,0.037
UVR,HT33,6,1.048,1.163,1.107,0.037
UVR,HT4,1,7.582,7.582,7.582,
UVR,HT5,1,7.691,7.691,7.691,
UVR,HY2,3,2.368,2.393,2.384,0.014
UVR,HY3,3,2.368,2.393,2.384,0.014
UVR,HZ1,30,0.881,3.870,3.400,0.855
UVR,HZ2,31,0.881,7.311,3.526,1.096
UVR,HZ3,30,0.881,3.870,3.400,0.855
WFP,HA,7,4.328,4.966,4.644,0.222
WFP,HB2,7,2.474,2.722,2.656,0.101
WFP,HB3,5,2.425,2.640,2.556,0.080
WFP,HD1,7,6.348,6.590,6.410,0.084
WFP,HN,7,8.089,8.401,8.263,0.108
WFP,HZ,6,6.450,6.542,6.497,0.035
WMH,C,4,43.937,44.985,44.288,0.474
WMH,H1,4,4.178,4.336,4.288,0.074
WMH,H2,4,4.434,4.576,4.506,0.062
WMH,H5,4,7.400,7.480,7.428,0.036
WW7,H111,1,2.88,2.88,2.880,
WW7,H112,1,2.88,2.88,2.880,
WW7,H121,1,1.49,1.49,1.490,
WW7,H122,1,1.49,1.49,1.490,
WW7,H131,1,1.11,1.11,1.110,
WW7,H132,1,1.11,1.11,1.110,
WW7,H141,1,1.11,1.11,1.110,
WW7,H142,1,1.11,1.11,1.110,
WW7,H151,1,1.32,1.32,1.320,
WW7,H152,1,1.32,1.32,1.320,
WW7,H161,1,2.78,2.78,2.780,
WW7,H162,1,2.78,2.78,2.780,
WW7,H2,1,8.14,8.14,8.140,
WW7,H3,1,7.39,7.39,7.390,
WW7,H4,1,8.20,8.20,8.200,
WW7,H6,1,7.41,7.41,7.410,
WW7,H7,1,7.41,7.41,7.410,
WW7,H8,1,8.58,8.58,8.580,
X,C1,1,80.767,80.767,80.767,
X,C2,1,56.209,56.209,56.209,
X,C3,1,77.867,77.867,77.867,
X,C4,1,59.698,59.698,59.698,
X,C5,1,75.838,75.838,75.838,
X,C6,1,19.506,19.506,19.506,
X,C8,1,25.128,25.128,25.128,
X,C9,1,24.944,24.944,24.944,
X,H1,1,5.027,5.027,5.027,
X,H1',3,4.559,5.692,5.248,0.605
X,H2,1,3.844,3.844,3.844,
X,H2',3,3.778,4.045,3.909,0.134
X,H2'OMe,1,3.585,3.585,3.585,
X,H3,1,3.828,3.828,3.828,
X,H3',3,4.049,4.547,4.275,0.252
X,H4,1,3.740,3.740,3.740,
X,H4',2,3.981,4.118,4.050,0.097
X,H5,2,3.463,5.203,4.333,1.230
X,H5',3,3.986,4.106,4.065,0.068
X,H5'',3,4.213,4.368,4.278,0.081
X,H6,4,1.034,7.843,5.868,3.233
X,H6',1,3.735,3.735,3.735,
X,H6'',1,3.851,3.851,3.851,
X,H7,1,1.777,1.777,1.777,
X,H8,1,1.960,1.960,1.960,
X,H9,1,1.891,1.891,1.891,
X,HA,3,4.351,4.383,4.369,0.016
X,HA1,1,4.294,4.294,4.294,
X,HA2,2,3.996,4.294,4.145,0.211
X,HA3,1,3.973,3.973,3.973,
X,HB2,5,2.795,3.603,3.086,0.398
X,HB3,3,2.756,3.431,3.088,0.338
X,HD2,2,1.575,1.678,1.627,0.073
X,HD3,2,1.575,1.678,1.627,0.073
X,HE2,2,2.971,3.011,2.991,0.028
X,HE3,2,2.971,3.011,2.991,0.028
X,HG2,2,1.574,1.684,1.629,0.078
X,HG3,2,1.574,1.684,1.629,0.078
X,HN,3,8.178,8.207,8.191,0.015
X,HN2,1,8.207,8.207,8.207,
X,HN4,1,8.204,8.204,8.204,
X,P,3,-4.216,-3.504,-3.884,0.358
X,QE,3,6.654,6.659,6.657,0.003
X,QF,2,2.029,2.030,2.030,0.001
X,QH,3,1.929,1.930,1.930,0.001
X,QQF,2,2.021,2.028,2.025,0.005
XXX,C,1,174.605,174.605,174.605,
XXX,CA,3,54.256,54.843,54.575,0.297
XXX,CB,3,38.653,40.233,39.409,0.792
XXX,CD,3,50.670,51.315,51.046,0.336
XXX,CG,3,54.140,55.392,54.953,0.705
XXX,CZ,1,175.423,175.423,175.423,
XXX,H,2,9.019,9.204,9.112,0.131
XXX,HA,3,4.501,4.630,4.555,0.067
XXX,HB2,3,1.780,2.065,1.925,0.143
XXX,HB3,3,2.143,2.438,2.272,0.151
XXX,HD1,3,3.331,3.438,3.387,0.054
XXX,HD2,3,3.863,4.254,4.004,0.217
XXX,HG,3,4.000,4.131,4.050,0.071
XXX,HND,2,7.176,8.082,7.629,0.641
XXX,HNG,2,8.148,8.718,8.433,0.403
XXX,HZ,2,7.636,7.879,7.758,0.172
XXX,N,2,110.926,113.296,112.111,1.676
XXX,ND,2,76.390,79.530,77.960,2.220
XXX,NG,2,89.990,90.220,90.105,0.163
XXX,NZ,2,68.410,70.230,69.320,1.287
XYP,H1B,1,4.711,4.711,4.711,
XYP,H2B,1,3.211,3.211,3.211,
XYP,H3B,1,3.151,3.151,3.151,
XYP,H4B,1,3.304,3.304,3.304,
XYP,H5B1,1,2.918,2.918,2.918,
XYP,H5B2,1,2.280,2.280,2.280,
Z90,HAE,1,6.903,6.903,6.903,
Z90,HAF,1,6.707,6.707,6.707,
Z90,HAG,1,6.707,6.707,6.707,
Z90,HAH,1,7.177,7.177,7.177,
Z90,HAI,1,6.469,6.469,6.469,
Z90,HAJ,1,6.015,6.015,6.015,
Z90,HAK,1,6.015,6.015,6.015,
Z90,HAM,1,6.923,6.923,6.923,
Z90,HAN,1,6.713,6.713,6.713,
Z90,HAO,1,6.713,6.713,6.713,
Z90,HAP,1,7.367,7.367,7.367,
Z90,HAQ,1,7.367,7.367,7.367,
Z90,HAR,1,7.943,7.943,7.943,
Z90,HAS,1,7.943,7.943,7.943,
Z90,HAT,1,7.383,7.383,7.383,
Z90,HAU,1,7.383,7.383,7.383,
Z90,HAY,1,1.843,1.843,1.843,
Z90,HAZ,1,1.650,1.650,1.650,
Z90,HBD,1,5.108,5.108,5.108,
Z90,HBDA,1,4.846,4.846,4.846,
ZAE,C,1,176.702,176.702,176.702,
ZAE,C10,3,33.680,34.758,34.300,0.557
ZAE,CA,3,64.487,66.007,65.209,0.763
ZAE,CB,3,38.659,39.435,39.087,0.394
ZAE,CD1,1,132.420,132.420,132.420,
ZAE,CE1,1,130.820,130.820,130.820,
ZAE,CZ,1,129.180,129.180,129.180,
ZAE,H,1,6.785,6.785,6.785,
ZAE,H12,3,2.572,2.708,2.648,0.069
ZAE,HA,3,3.982,4.444,4.228,0.233
ZAE,HB2,3,2.978,3.141,3.050,0.083
ZAE,HB3,3,3.253,3.775,3.468,0.273
ZAE,HD1,1,7.304,7.304,7.304,
ZAE,HE1,1,7.254,7.254,7.254,
ZAE,HZ,1,7.138,7.138,7.138,
ZAE,N,1,110.610,110.610,110.610,
ZNH,HAB,1,7.8800,7.8800,7.880,
ZNH,HAC,1,8.4900,8.4900,8.490,
ZNH,HBC1,1,6.0000,6.0000,6.000,
ZNH,HHA,1,10.0000,10.0000,10.000,
ZNH,HHC,1,9.7800,9.7800,9.780,
ZNH,HHD,1,9.7700,9.7700,9.770,
ZNH,HMC1,1,2.9600,2.9600,2.960,
ZNH,HMC3,1,2.9600,2.9600,2.960,
ZNH,HMD1,1,3.1100,3.1100,3.110,
ZNH,HMD2,1,3.1100,3.1100,3.110,
ZNH,HMD3,1,3.1100,3.1100,3.110,