data_19578 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19578 _Entry.PDB_ID 2MFY save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19578 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 4 4 SER N N 4 115.060 115.060 116.057 -0.997 19578 2 1 1 . 1 1 4 4 SER HA H 4 4.360 4.360 4.515 -0.155 19578 3 1 1 . 1 1 4 4 SER CA C 4 59.100 59.100 59.244 -0.144 19578 4 1 1 . 1 1 4 4 SER CB C 4 62.980 62.980 63.809 -0.829 19578 5 1 1 . 1 1 4 4 SER H H 4 8.450 8.450 8.308 0.142 19578 6 1 1 . 1 1 5 5 ASP N N 5 123.200 123.200 121.632 1.568 19578 7 1 1 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.016 -0.136 19578 8 1 1 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.251 -0.361 19578 9 1 1 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.759 -0.019 19578 10 1 1 . 1 1 5 5 ASP H H 5 7.620 7.620 7.720 -0.100 19578 11 1 1 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.581 -0.121 19578 12 1 1 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.167 1.193 19578 13 1 1 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.029 0.241 19578 14 1 1 . 1 1 10 10 TYR N N 10 119.390 119.390 122.344 -2.954 19578 15 1 1 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.542 -0.002 19578 16 1 1 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.298 1.372 19578 17 1 1 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.843 -0.413 19578 18 1 1 . 1 1 10 10 TYR H H 10 8.030 8.030 7.295 0.735 19578 19 1 1 . 1 1 11 11 ASP N N 11 119.160 119.160 118.132 1.028 19578 20 1 1 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.461 -0.001 19578 21 1 1 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.948 -1.328 19578 22 1 1 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.868 -0.528 19578 23 1 1 . 1 1 11 11 ASP H H 11 8.360 8.360 8.504 -0.144 19578 24 1 1 . 1 1 12 12 HIS N N 12 115.970 115.970 110.955 5.015 19578 25 1 1 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.729 0.381 19578 26 1 1 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.272 -0.782 19578 27 1 1 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.167 -0.357 19578 28 1 1 . 1 1 12 12 HIS H H 12 7.770 7.770 7.816 -0.046 19578 29 1 1 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.471 -0.022 19578 30 1 1 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.875 0.165 19578 31 1 1 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.011 0.029 19578 32 1 1 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.476 -0.106 19578 33 1 1 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.747 0.773 19578 34 1 1 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.298 -0.538 19578 35 1 1 . 1 1 14 14 GLU H H 14 9.060 9.060 7.759 1.301 19578 36 1 1 . 1 1 15 15 ILE N N 15 122.650 122.650 122.433 0.217 19578 37 1 1 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.159 -0.009 19578 38 1 1 . 1 1 15 15 ILE CA C 15 61.170 61.170 60.372 0.798 19578 39 1 1 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.847 3.263 19578 40 1 1 . 1 1 15 15 ILE H H 15 8.130 8.130 8.672 -0.542 19578 41 1 2 . 1 1 4 4 SER N N 4 115.060 115.060 116.414 -1.354 19578 42 1 2 . 1 1 4 4 SER HA H 4 4.360 4.360 4.452 -0.092 19578 43 1 2 . 1 1 4 4 SER CA C 4 59.100 59.100 58.937 0.163 19578 44 1 2 . 1 1 4 4 SER CB C 4 62.980 62.980 63.487 -0.507 19578 45 1 2 . 1 1 4 4 SER H H 4 8.450 8.450 8.332 0.118 19578 46 1 2 . 1 1 5 5 ASP N N 5 123.200 123.200 122.088 1.112 19578 47 1 2 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.019 -0.139 19578 48 1 2 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.873 -0.983 19578 49 1 2 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.731 1.009 19578 50 1 2 . 1 1 5 5 ASP H H 5 7.620 7.620 7.701 -0.081 19578 51 1 2 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.360 0.100 19578 52 1 2 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.554 0.806 19578 53 1 2 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.840 0.430 19578 54 1 2 . 1 1 10 10 TYR N N 10 119.390 119.390 120.457 -1.067 19578 55 1 2 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.656 -0.116 19578 56 1 2 . 1 1 10 10 TYR CA C 10 57.670 57.670 55.887 1.783 19578 57 1 2 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.951 -0.521 19578 58 1 2 . 1 1 10 10 TYR H H 10 8.030 8.030 7.223 0.807 19578 59 1 2 . 1 1 11 11 ASP N N 11 119.160 119.160 118.336 0.824 19578 60 1 2 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.398 0.062 19578 61 1 2 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.525 -0.905 19578 62 1 2 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.644 -0.304 19578 63 1 2 . 1 1 11 11 ASP H H 11 8.360 8.360 8.426 -0.066 19578 64 1 2 . 1 1 12 12 HIS N N 12 115.970 115.970 111.142 4.828 19578 65 1 2 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.810 0.300 19578 66 1 2 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.898 -1.408 19578 67 1 2 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.344 -0.534 19578 68 1 2 . 1 1 12 12 HIS H H 12 7.770 7.770 7.933 -0.163 19578 69 1 2 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.371 0.079 19578 70 1 2 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.653 1.387 19578 71 1 2 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.466 0.574 19578 72 1 2 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.068 0.302 19578 73 1 2 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.418 0.102 19578 74 1 2 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.421 -0.660 19578 75 1 2 . 1 1 14 14 GLU H H 14 9.060 9.060 7.859 1.201 19578 76 1 2 . 1 1 15 15 ILE N N 15 122.650 122.650 123.648 -0.998 19578 77 1 2 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.904 0.246 19578 78 1 2 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.301 -0.131 19578 79 1 2 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.187 2.923 19578 80 1 2 . 1 1 15 15 ILE H H 15 8.130 8.130 8.375 -0.245 19578 81 1 3 . 1 1 4 4 SER N N 4 115.060 115.060 116.365 -1.305 19578 82 1 3 . 1 1 4 4 SER HA H 4 4.360 4.360 4.367 -0.007 19578 83 1 3 . 1 1 4 4 SER CA C 4 59.100 59.100 59.005 0.095 19578 84 1 3 . 1 1 4 4 SER CB C 4 62.980 62.980 63.522 -0.542 19578 85 1 3 . 1 1 4 4 SER H H 4 8.450 8.450 8.265 0.185 19578 86 1 3 . 1 1 5 5 ASP N N 5 123.200 123.200 124.478 -1.278 19578 87 1 3 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.001 -0.121 19578 88 1 3 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.399 -0.509 19578 89 1 3 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.578 0.162 19578 90 1 3 . 1 1 5 5 ASP H H 5 7.620 7.620 7.956 -0.336 19578 91 1 3 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.575 -0.115 19578 92 1 3 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.028 1.332 19578 93 1 3 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.052 0.218 19578 94 1 3 . 1 1 10 10 TYR N N 10 119.390 119.390 121.700 -2.310 19578 95 1 3 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.755 -0.215 19578 96 1 3 . 1 1 10 10 TYR CA C 10 57.670 57.670 55.725 1.945 19578 97 1 3 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.836 -0.406 19578 98 1 3 . 1 1 10 10 TYR H H 10 8.030 8.030 7.268 0.762 19578 99 1 3 . 1 1 11 11 ASP N N 11 119.160 119.160 119.135 0.025 19578 100 1 3 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.515 -0.055 19578 101 1 3 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.373 -0.753 19578 102 1 3 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.614 -0.274 19578 103 1 3 . 1 1 11 11 ASP H H 11 8.360 8.360 8.507 -0.147 19578 104 1 3 . 1 1 12 12 HIS N N 12 115.970 115.970 112.756 3.214 19578 105 1 3 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.833 0.277 19578 106 1 3 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.427 0.063 19578 107 1 3 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.022 -0.212 19578 108 1 3 . 1 1 12 12 HIS H H 12 7.770 7.770 7.901 -0.131 19578 109 1 3 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.253 0.197 19578 110 1 3 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.767 1.272 19578 111 1 3 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.006 0.034 19578 112 1 3 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.157 0.213 19578 113 1 3 . 1 1 14 14 GLU CA C 14 56.520 56.520 57.000 -0.480 19578 114 1 3 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.091 0.669 19578 115 1 3 . 1 1 14 14 GLU H H 14 9.060 9.060 8.855 0.205 19578 116 1 3 . 1 1 15 15 ILE N N 15 122.650 122.650 115.059 7.591 19578 117 1 3 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.634 0.516 19578 118 1 3 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.794 -0.624 19578 119 1 3 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.533 2.577 19578 120 1 3 . 1 1 15 15 ILE H H 15 8.130 8.130 7.851 0.279 19578 121 1 4 . 1 1 4 4 SER N N 4 115.060 115.060 117.097 -2.037 19578 122 1 4 . 1 1 4 4 SER HA H 4 4.360 4.360 4.497 -0.137 19578 123 1 4 . 1 1 4 4 SER CA C 4 59.100 59.100 59.071 0.029 19578 124 1 4 . 1 1 4 4 SER CB C 4 62.980 62.980 63.945 -0.965 19578 125 1 4 . 1 1 4 4 SER H H 4 8.450 8.450 8.355 0.095 19578 126 1 4 . 1 1 5 5 ASP N N 5 123.200 123.200 122.560 0.640 19578 127 1 4 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.984 -0.104 19578 128 1 4 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.156 -0.266 19578 129 1 4 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.545 0.195 19578 130 1 4 . 1 1 5 5 ASP H H 5 7.620 7.620 7.892 -0.272 19578 131 1 4 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.856 -0.396 19578 132 1 4 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.064 1.296 19578 133 1 4 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.200 0.070 19578 134 1 4 . 1 1 10 10 TYR N N 10 119.390 119.390 119.299 0.091 19578 135 1 4 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.778 -0.238 19578 136 1 4 . 1 1 10 10 TYR CA C 10 57.670 57.670 55.244 2.426 19578 137 1 4 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.382 -0.952 19578 138 1 4 . 1 1 10 10 TYR H H 10 8.030 8.030 6.921 1.109 19578 139 1 4 . 1 1 11 11 ASP N N 11 119.160 119.160 119.194 -0.034 19578 140 1 4 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.527 -0.067 19578 141 1 4 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.306 -0.686 19578 142 1 4 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.603 -0.263 19578 143 1 4 . 1 1 11 11 ASP H H 11 8.360 8.360 8.501 -0.141 19578 144 1 4 . 1 1 12 12 HIS N N 12 115.970 115.970 114.323 1.647 19578 145 1 4 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.839 0.271 19578 146 1 4 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.098 -0.608 19578 147 1 4 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.984 -1.174 19578 148 1 4 . 1 1 12 12 HIS H H 12 7.770 7.770 8.249 -0.479 19578 149 1 4 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.604 -0.154 19578 150 1 4 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.573 1.467 19578 151 1 4 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.805 -0.765 19578 152 1 4 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.406 -0.036 19578 153 1 4 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.080 0.440 19578 154 1 4 . 1 1 14 14 GLU CB C 14 29.760 29.760 31.383 -1.623 19578 155 1 4 . 1 1 14 14 GLU H H 14 9.060 9.060 8.302 0.758 19578 156 1 4 . 1 1 15 15 ILE N N 15 122.650 122.650 122.503 0.147 19578 157 1 4 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.786 0.364 19578 158 1 4 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.207 -1.037 19578 159 1 4 . 1 1 15 15 ILE CB C 15 38.110 38.110 36.080 2.030 19578 160 1 4 . 1 1 15 15 ILE H H 15 8.130 8.130 8.898 -0.768 19578 161 1 5 . 1 1 4 4 SER N N 4 115.060 115.060 116.230 -1.170 19578 162 1 5 . 1 1 4 4 SER HA H 4 4.360 4.360 4.542 -0.182 19578 163 1 5 . 1 1 4 4 SER CA C 4 59.100 59.100 59.088 0.012 19578 164 1 5 . 1 1 4 4 SER CB C 4 62.980 62.980 63.888 -0.908 19578 165 1 5 . 1 1 4 4 SER H H 4 8.450 8.450 8.417 0.033 19578 166 1 5 . 1 1 5 5 ASP N N 5 123.200 123.200 124.590 -1.390 19578 167 1 5 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.070 -0.190 19578 168 1 5 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.150 -0.260 19578 169 1 5 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.787 0.953 19578 170 1 5 . 1 1 5 5 ASP H H 5 7.620 7.620 8.116 -0.496 19578 171 1 5 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.401 0.059 19578 172 1 5 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.555 0.805 19578 173 1 5 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.914 0.356 19578 174 1 5 . 1 1 10 10 TYR N N 10 119.390 119.390 122.404 -3.014 19578 175 1 5 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.667 -0.127 19578 176 1 5 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.824 0.846 19578 177 1 5 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.923 -0.493 19578 178 1 5 . 1 1 10 10 TYR H H 10 8.030 8.030 7.059 0.971 19578 179 1 5 . 1 1 11 11 ASP N N 11 119.160 119.160 118.695 0.465 19578 180 1 5 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.510 -0.050 19578 181 1 5 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.438 -0.818 19578 182 1 5 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.627 -0.287 19578 183 1 5 . 1 1 11 11 ASP H H 11 8.360 8.360 8.433 -0.073 19578 184 1 5 . 1 1 12 12 HIS N N 12 115.970 115.970 111.962 4.008 19578 185 1 5 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.820 0.290 19578 186 1 5 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.927 -0.437 19578 187 1 5 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.106 -0.296 19578 188 1 5 . 1 1 12 12 HIS H H 12 7.770 7.770 7.863 -0.093 19578 189 1 5 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.706 -0.256 19578 190 1 5 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.493 1.547 19578 191 1 5 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.346 -0.306 19578 192 1 5 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.268 0.102 19578 193 1 5 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.926 0.594 19578 194 1 5 . 1 1 14 14 GLU CB C 14 29.760 29.760 27.794 1.966 19578 195 1 5 . 1 1 14 14 GLU H H 14 9.060 9.060 8.770 0.290 19578 196 1 5 . 1 1 15 15 ILE N N 15 122.650 122.650 118.409 4.241 19578 197 1 5 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.563 0.587 19578 198 1 5 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.245 -1.075 19578 199 1 5 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.370 2.740 19578 200 1 5 . 1 1 15 15 ILE H H 15 8.130 8.130 8.597 -0.467 19578 201 1 6 . 1 1 4 4 SER N N 4 115.060 115.060 117.702 -2.642 19578 202 1 6 . 1 1 4 4 SER HA H 4 4.360 4.360 4.368 -0.008 19578 203 1 6 . 1 1 4 4 SER CA C 4 59.100 59.100 58.742 0.358 19578 204 1 6 . 1 1 4 4 SER CB C 4 62.980 62.980 63.491 -0.511 19578 205 1 6 . 1 1 4 4 SER H H 4 8.450 8.450 8.438 0.012 19578 206 1 6 . 1 1 5 5 ASP N N 5 123.200 123.200 123.993 -0.793 19578 207 1 6 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.935 -0.055 19578 208 1 6 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.197 -0.307 19578 209 1 6 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.097 0.643 19578 210 1 6 . 1 1 5 5 ASP H H 5 7.620 7.620 7.926 -0.306 19578 211 1 6 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.535 -0.075 19578 212 1 6 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.079 1.281 19578 213 1 6 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.069 0.201 19578 214 1 6 . 1 1 10 10 TYR N N 10 119.390 119.390 121.234 -1.844 19578 215 1 6 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.713 -0.173 19578 216 1 6 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.936 0.734 19578 217 1 6 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.074 -0.644 19578 218 1 6 . 1 1 10 10 TYR H H 10 8.030 8.030 7.127 0.903 19578 219 1 6 . 1 1 11 11 ASP N N 11 119.160 119.160 118.548 0.612 19578 220 1 6 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.642 -0.182 19578 221 1 6 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.014 -0.394 19578 222 1 6 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.733 -0.394 19578 223 1 6 . 1 1 11 11 ASP H H 11 8.360 8.360 8.889 -0.529 19578 224 1 6 . 1 1 12 12 HIS N N 12 115.970 115.970 114.172 1.798 19578 225 1 6 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.788 0.322 19578 226 1 6 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.529 -1.039 19578 227 1 6 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.832 -1.022 19578 228 1 6 . 1 1 12 12 HIS H H 12 7.770 7.770 8.317 -0.547 19578 229 1 6 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.856 -0.406 19578 230 1 6 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.704 0.336 19578 231 1 6 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.666 -0.625 19578 232 1 6 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.427 -0.057 19578 233 1 6 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.187 0.333 19578 234 1 6 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.655 -0.895 19578 235 1 6 . 1 1 14 14 GLU H H 14 9.060 9.060 8.308 0.752 19578 236 1 6 . 1 1 15 15 ILE N N 15 122.650 122.650 121.076 1.574 19578 237 1 6 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.171 -0.021 19578 238 1 6 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.399 -0.229 19578 239 1 6 . 1 1 15 15 ILE CB C 15 38.110 38.110 37.576 0.534 19578 240 1 6 . 1 1 15 15 ILE H H 15 8.130 8.130 8.113 0.017 19578 241 1 7 . 1 1 4 4 SER N N 4 115.060 115.060 115.674 -0.614 19578 242 1 7 . 1 1 4 4 SER HA H 4 4.360 4.360 4.534 -0.174 19578 243 1 7 . 1 1 4 4 SER CA C 4 59.100 59.100 59.291 -0.191 19578 244 1 7 . 1 1 4 4 SER CB C 4 62.980 62.980 63.894 -0.914 19578 245 1 7 . 1 1 4 4 SER H H 4 8.450 8.450 8.138 0.312 19578 246 1 7 . 1 1 5 5 ASP N N 5 123.200 123.200 123.769 -0.569 19578 247 1 7 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.033 -0.153 19578 248 1 7 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.030 0.860 19578 249 1 7 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.648 1.092 19578 250 1 7 . 1 1 5 5 ASP H H 5 7.620 7.620 7.747 -0.127 19578 251 1 7 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.618 -0.158 19578 252 1 7 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.529 0.831 19578 253 1 7 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.826 0.444 19578 254 1 7 . 1 1 10 10 TYR N N 10 119.390 119.390 120.545 -1.155 19578 255 1 7 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.596 -0.056 19578 256 1 7 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.267 1.403 19578 257 1 7 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.612 -0.182 19578 258 1 7 . 1 1 10 10 TYR H H 10 8.030 8.030 7.255 0.775 19578 259 1 7 . 1 1 11 11 ASP N N 11 119.160 119.160 119.601 -0.441 19578 260 1 7 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.577 -0.117 19578 261 1 7 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.196 -0.576 19578 262 1 7 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.886 -0.546 19578 263 1 7 . 1 1 11 11 ASP H H 11 8.360 8.360 8.562 -0.202 19578 264 1 7 . 1 1 12 12 HIS N N 12 115.970 115.970 113.752 2.218 19578 265 1 7 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.772 0.338 19578 266 1 7 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.544 -1.054 19578 267 1 7 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.767 -0.957 19578 268 1 7 . 1 1 12 12 HIS H H 12 7.770 7.770 8.233 -0.463 19578 269 1 7 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.502 -0.052 19578 270 1 7 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.086 0.954 19578 271 1 7 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.329 0.711 19578 272 1 7 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.042 0.328 19578 273 1 7 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.958 -0.438 19578 274 1 7 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.448 0.312 19578 275 1 7 . 1 1 14 14 GLU H H 14 9.060 9.060 8.376 0.684 19578 276 1 7 . 1 1 15 15 ILE N N 15 122.650 122.650 115.639 7.011 19578 277 1 7 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.718 0.432 19578 278 1 7 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.454 -0.284 19578 279 1 7 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.605 2.505 19578 280 1 7 . 1 1 15 15 ILE H H 15 8.130 8.130 7.918 0.212 19578 281 1 8 . 1 1 4 4 SER N N 4 115.060 115.060 115.844 -0.784 19578 282 1 8 . 1 1 4 4 SER HA H 4 4.360 4.360 4.440 -0.080 19578 283 1 8 . 1 1 4 4 SER CA C 4 59.100 59.100 58.854 0.246 19578 284 1 8 . 1 1 4 4 SER CB C 4 62.980 62.980 63.767 -0.787 19578 285 1 8 . 1 1 4 4 SER H H 4 8.450 8.450 8.501 -0.051 19578 286 1 8 . 1 1 5 5 ASP N N 5 123.200 123.200 122.852 0.348 19578 287 1 8 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.037 -0.157 19578 288 1 8 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.153 -0.263 19578 289 1 8 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.538 1.202 19578 290 1 8 . 1 1 5 5 ASP H H 5 7.620 7.620 7.902 -0.282 19578 291 1 8 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.216 0.244 19578 292 1 8 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.468 0.893 19578 293 1 8 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.040 0.230 19578 294 1 8 . 1 1 10 10 TYR N N 10 119.390 119.390 121.295 -1.905 19578 295 1 8 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.574 -0.034 19578 296 1 8 . 1 1 10 10 TYR CA C 10 57.670 57.670 57.283 0.387 19578 297 1 8 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.100 -0.670 19578 298 1 8 . 1 1 10 10 TYR H H 10 8.030 8.030 7.823 0.207 19578 299 1 8 . 1 1 11 11 ASP N N 11 119.160 119.160 118.809 0.351 19578 300 1 8 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.552 -0.092 19578 301 1 8 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.658 -1.038 19578 302 1 8 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.740 -0.401 19578 303 1 8 . 1 1 11 11 ASP H H 11 8.360 8.360 8.558 -0.198 19578 304 1 8 . 1 1 12 12 HIS N N 12 115.970 115.970 113.551 2.419 19578 305 1 8 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.811 0.299 19578 306 1 8 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.513 -1.023 19578 307 1 8 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.676 -0.866 19578 308 1 8 . 1 1 12 12 HIS H H 12 7.770 7.770 8.270 -0.500 19578 309 1 8 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.375 0.075 19578 310 1 8 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.658 0.382 19578 311 1 8 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.918 0.123 19578 312 1 8 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.070 0.300 19578 313 1 8 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.724 -0.204 19578 314 1 8 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.330 -0.570 19578 315 1 8 . 1 1 14 14 GLU H H 14 9.060 9.060 8.110 0.950 19578 316 1 8 . 1 1 15 15 ILE N N 15 122.650 122.650 123.343 -0.693 19578 317 1 8 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.017 0.133 19578 318 1 8 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.624 -0.454 19578 319 1 8 . 1 1 15 15 ILE CB C 15 38.110 38.110 36.113 1.997 19578 320 1 8 . 1 1 15 15 ILE H H 15 8.130 8.130 8.284 -0.154 19578 321 1 9 . 1 1 4 4 SER N N 4 115.060 115.060 116.321 -1.261 19578 322 1 9 . 1 1 4 4 SER HA H 4 4.360 4.360 4.624 -0.264 19578 323 1 9 . 1 1 4 4 SER CA C 4 59.100 59.100 59.170 -0.070 19578 324 1 9 . 1 1 4 4 SER CB C 4 62.980 62.980 63.820 -0.840 19578 325 1 9 . 1 1 4 4 SER H H 4 8.450 8.450 8.534 -0.084 19578 326 1 9 . 1 1 5 5 ASP N N 5 123.200 123.200 123.219 -0.019 19578 327 1 9 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.105 -0.225 19578 328 1 9 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.017 -0.127 19578 329 1 9 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.039 0.701 19578 330 1 9 . 1 1 5 5 ASP H H 5 7.620 7.620 7.941 -0.321 19578 331 1 9 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.724 -0.264 19578 332 1 9 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.526 0.834 19578 333 1 9 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.020 0.250 19578 334 1 9 . 1 1 10 10 TYR N N 10 119.390 119.390 120.681 -1.291 19578 335 1 9 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.601 -0.061 19578 336 1 9 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.256 1.414 19578 337 1 9 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.780 -0.350 19578 338 1 9 . 1 1 10 10 TYR H H 10 8.030 8.030 7.119 0.911 19578 339 1 9 . 1 1 11 11 ASP N N 11 119.160 119.160 119.592 -0.432 19578 340 1 9 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.597 -0.137 19578 341 1 9 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.324 -0.704 19578 342 1 9 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.986 -0.645 19578 343 1 9 . 1 1 11 11 ASP H H 11 8.360 8.360 8.628 -0.268 19578 344 1 9 . 1 1 12 12 HIS N N 12 115.970 115.970 114.449 1.521 19578 345 1 9 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.822 0.288 19578 346 1 9 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.335 0.155 19578 347 1 9 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.581 -0.770 19578 348 1 9 . 1 1 12 12 HIS H H 12 7.770 7.770 7.996 -0.226 19578 349 1 9 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.500 -0.050 19578 350 1 9 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.246 1.794 19578 351 1 9 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.280 -0.240 19578 352 1 9 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.341 0.029 19578 353 1 9 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.607 0.913 19578 354 1 9 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.237 0.523 19578 355 1 9 . 1 1 14 14 GLU H H 14 9.060 9.060 8.545 0.515 19578 356 1 9 . 1 1 15 15 ILE N N 15 122.650 122.650 123.810 -1.160 19578 357 1 9 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.608 0.542 19578 358 1 9 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.001 -0.831 19578 359 1 9 . 1 1 15 15 ILE CB C 15 38.110 38.110 36.261 1.849 19578 360 1 9 . 1 1 15 15 ILE H H 15 8.130 8.130 8.729 -0.599 19578 361 1 10 . 1 1 4 4 SER N N 4 115.060 115.060 116.573 -1.513 19578 362 1 10 . 1 1 4 4 SER HA H 4 4.360 4.360 4.478 -0.118 19578 363 1 10 . 1 1 4 4 SER CA C 4 59.100 59.100 59.711 -0.611 19578 364 1 10 . 1 1 4 4 SER CB C 4 62.980 62.980 64.001 -1.021 19578 365 1 10 . 1 1 4 4 SER H H 4 8.450 8.450 8.368 0.082 19578 366 1 10 . 1 1 5 5 ASP N N 5 123.200 123.200 122.108 1.092 19578 367 1 10 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.021 -0.141 19578 368 1 10 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.516 0.374 19578 369 1 10 . 1 1 5 5 ASP CB C 5 42.740 42.740 43.705 -0.964 19578 370 1 10 . 1 1 5 5 ASP H H 5 7.620 7.620 7.734 -0.114 19578 371 1 10 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.412 0.048 19578 372 1 10 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.144 1.216 19578 373 1 10 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.428 -0.158 19578 374 1 10 . 1 1 10 10 TYR N N 10 119.390 119.390 122.086 -2.696 19578 375 1 10 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.613 -0.073 19578 376 1 10 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.061 1.609 19578 377 1 10 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.937 -0.507 19578 378 1 10 . 1 1 10 10 TYR H H 10 8.030 8.030 7.145 0.885 19578 379 1 10 . 1 1 11 11 ASP N N 11 119.160 119.160 118.455 0.705 19578 380 1 10 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.404 0.056 19578 381 1 10 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.828 -1.208 19578 382 1 10 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.675 -0.335 19578 383 1 10 . 1 1 11 11 ASP H H 11 8.360 8.360 8.461 -0.101 19578 384 1 10 . 1 1 12 12 HIS N N 12 115.970 115.970 110.996 4.974 19578 385 1 10 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.864 0.246 19578 386 1 10 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.509 -1.019 19578 387 1 10 . 1 1 12 12 HIS CB C 12 28.810 28.810 28.703 0.107 19578 388 1 10 . 1 1 12 12 HIS H H 12 7.770 7.770 7.862 -0.092 19578 389 1 10 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.675 -0.225 19578 390 1 10 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.996 1.044 19578 391 1 10 . 1 1 13 13 PRO CB C 13 32.040 32.040 29.405 2.635 19578 392 1 10 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.019 0.351 19578 393 1 10 . 1 1 14 14 GLU CA C 14 56.520 56.520 57.499 -0.979 19578 394 1 10 . 1 1 14 14 GLU CB C 14 29.760 29.760 28.795 0.965 19578 395 1 10 . 1 1 14 14 GLU H H 14 9.060 9.060 8.842 0.218 19578 396 1 10 . 1 1 15 15 ILE N N 15 122.650 122.650 114.465 8.185 19578 397 1 10 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.598 0.552 19578 398 1 10 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.024 -0.854 19578 399 1 10 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.018 3.092 19578 400 1 10 . 1 1 15 15 ILE H H 15 8.130 8.130 8.297 -0.167 19578 401 1 11 . 1 1 4 4 SER N N 4 115.060 115.060 116.814 -1.754 19578 402 1 11 . 1 1 4 4 SER HA H 4 4.360 4.360 4.393 -0.033 19578 403 1 11 . 1 1 4 4 SER CA C 4 59.100 59.100 59.142 -0.042 19578 404 1 11 . 1 1 4 4 SER CB C 4 62.980 62.980 63.922 -0.942 19578 405 1 11 . 1 1 4 4 SER H H 4 8.450 8.450 8.603 -0.153 19578 406 1 11 . 1 1 5 5 ASP N N 5 123.200 123.200 123.603 -0.403 19578 407 1 11 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.034 -0.154 19578 408 1 11 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.317 -0.427 19578 409 1 11 . 1 1 5 5 ASP CB C 5 42.740 42.740 43.198 -0.458 19578 410 1 11 . 1 1 5 5 ASP H H 5 7.620 7.620 7.813 -0.193 19578 411 1 11 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.701 -0.241 19578 412 1 11 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.993 1.367 19578 413 1 11 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.224 0.046 19578 414 1 11 . 1 1 10 10 TYR N N 10 119.390 119.390 121.154 -1.764 19578 415 1 11 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.694 -0.154 19578 416 1 11 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.117 1.553 19578 417 1 11 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.085 -0.655 19578 418 1 11 . 1 1 10 10 TYR H H 10 8.030 8.030 7.151 0.879 19578 419 1 11 . 1 1 11 11 ASP N N 11 119.160 119.160 118.865 0.295 19578 420 1 11 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.523 -0.063 19578 421 1 11 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.871 -1.251 19578 422 1 11 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.827 -0.487 19578 423 1 11 . 1 1 11 11 ASP H H 11 8.360 8.360 8.637 -0.277 19578 424 1 11 . 1 1 12 12 HIS N N 12 115.970 115.970 112.453 3.517 19578 425 1 11 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.821 0.289 19578 426 1 11 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.437 0.053 19578 427 1 11 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.035 -0.225 19578 428 1 11 . 1 1 12 12 HIS H H 12 7.770 7.770 7.953 -0.183 19578 429 1 11 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.087 0.363 19578 430 1 11 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.345 1.695 19578 431 1 11 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.131 -0.091 19578 432 1 11 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.363 0.007 19578 433 1 11 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.715 0.805 19578 434 1 11 . 1 1 14 14 GLU CB C 14 29.760 29.760 31.081 -1.321 19578 435 1 11 . 1 1 14 14 GLU H H 14 9.060 9.060 8.498 0.562 19578 436 1 11 . 1 1 15 15 ILE N N 15 122.650 122.650 121.946 0.704 19578 437 1 11 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.694 0.456 19578 438 1 11 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.157 0.013 19578 439 1 11 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.634 2.476 19578 440 1 11 . 1 1 15 15 ILE H H 15 8.130 8.130 8.744 -0.614 19578 441 1 12 . 1 1 4 4 SER N N 4 115.060 115.060 116.170 -1.110 19578 442 1 12 . 1 1 4 4 SER HA H 4 4.360 4.360 4.581 -0.221 19578 443 1 12 . 1 1 4 4 SER CA C 4 59.100 59.100 59.085 0.015 19578 444 1 12 . 1 1 4 4 SER CB C 4 62.980 62.980 63.738 -0.758 19578 445 1 12 . 1 1 4 4 SER H H 4 8.450 8.450 8.329 0.121 19578 446 1 12 . 1 1 5 5 ASP N N 5 123.200 123.200 122.573 0.627 19578 447 1 12 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.176 -0.296 19578 448 1 12 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.395 0.495 19578 449 1 12 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.755 0.985 19578 450 1 12 . 1 1 5 5 ASP H H 5 7.620 7.620 7.791 -0.171 19578 451 1 12 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.291 0.169 19578 452 1 12 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.691 0.669 19578 453 1 12 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.015 0.255 19578 454 1 12 . 1 1 10 10 TYR N N 10 119.390 119.390 121.218 -1.828 19578 455 1 12 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.751 -0.211 19578 456 1 12 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.358 1.312 19578 457 1 12 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.888 -0.458 19578 458 1 12 . 1 1 10 10 TYR H H 10 8.030 8.030 7.108 0.922 19578 459 1 12 . 1 1 11 11 ASP N N 11 119.160 119.160 119.764 -0.604 19578 460 1 12 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.634 -0.174 19578 461 1 12 . 1 1 11 11 ASP CA C 11 54.620 54.620 54.827 -0.207 19578 462 1 12 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.946 -0.606 19578 463 1 12 . 1 1 11 11 ASP H H 11 8.360 8.360 8.592 -0.232 19578 464 1 12 . 1 1 12 12 HIS N N 12 115.970 115.970 112.037 3.933 19578 465 1 12 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.991 0.119 19578 466 1 12 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.269 -0.779 19578 467 1 12 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.890 -1.080 19578 468 1 12 . 1 1 12 12 HIS H H 12 7.770 7.770 8.100 -0.330 19578 469 1 12 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.466 -0.016 19578 470 1 12 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.644 0.396 19578 471 1 12 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.171 -0.131 19578 472 1 12 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.068 0.302 19578 473 1 12 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.389 0.131 19578 474 1 12 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.809 -0.049 19578 475 1 12 . 1 1 14 14 GLU H H 14 9.060 9.060 8.201 0.859 19578 476 1 12 . 1 1 15 15 ILE N N 15 122.650 122.650 118.919 3.731 19578 477 1 12 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.831 0.319 19578 478 1 12 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.665 -0.495 19578 479 1 12 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.886 2.224 19578 480 1 12 . 1 1 15 15 ILE H H 15 8.130 8.130 8.115 0.015 19578 481 1 13 . 1 1 4 4 SER N N 4 115.060 115.060 116.736 -1.676 19578 482 1 13 . 1 1 4 4 SER HA H 4 4.360 4.360 4.478 -0.118 19578 483 1 13 . 1 1 4 4 SER CA C 4 59.100 59.100 59.023 0.076 19578 484 1 13 . 1 1 4 4 SER CB C 4 62.980 62.980 63.903 -0.923 19578 485 1 13 . 1 1 4 4 SER H H 4 8.450 8.450 8.639 -0.189 19578 486 1 13 . 1 1 5 5 ASP N N 5 123.200 123.200 124.887 -1.687 19578 487 1 13 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.084 -0.204 19578 488 1 13 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.593 0.297 19578 489 1 13 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.418 0.322 19578 490 1 13 . 1 1 5 5 ASP H H 5 7.620 7.620 8.002 -0.382 19578 491 1 13 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.425 0.035 19578 492 1 13 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.230 1.129 19578 493 1 13 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.052 0.218 19578 494 1 13 . 1 1 10 10 TYR N N 10 119.390 119.390 121.116 -1.726 19578 495 1 13 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.668 -0.128 19578 496 1 13 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.295 1.375 19578 497 1 13 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.066 -0.636 19578 498 1 13 . 1 1 10 10 TYR H H 10 8.030 8.030 7.334 0.696 19578 499 1 13 . 1 1 11 11 ASP N N 11 119.160 119.160 118.291 0.869 19578 500 1 13 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.537 -0.077 19578 501 1 13 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.725 -1.105 19578 502 1 13 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.971 -0.631 19578 503 1 13 . 1 1 11 11 ASP H H 11 8.360 8.360 8.525 -0.165 19578 504 1 13 . 1 1 12 12 HIS N N 12 115.970 115.970 110.747 5.223 19578 505 1 13 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.900 0.210 19578 506 1 13 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.527 -1.037 19578 507 1 13 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.423 -0.613 19578 508 1 13 . 1 1 12 12 HIS H H 12 7.770 7.770 8.034 -0.264 19578 509 1 13 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.438 0.012 19578 510 1 13 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.802 0.238 19578 511 1 13 . 1 1 13 13 PRO CB C 13 32.040 32.040 31.662 0.379 19578 512 1 13 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.070 0.300 19578 513 1 13 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.787 -0.267 19578 514 1 13 . 1 1 14 14 GLU CB C 14 29.760 29.760 28.916 0.844 19578 515 1 13 . 1 1 14 14 GLU H H 14 9.060 9.060 8.289 0.771 19578 516 1 13 . 1 1 15 15 ILE N N 15 122.650 122.650 119.089 3.561 19578 517 1 13 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.604 0.546 19578 518 1 13 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.912 -0.742 19578 519 1 13 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.380 2.730 19578 520 1 13 . 1 1 15 15 ILE H H 15 8.130 8.130 8.582 -0.452 19578 521 1 14 . 1 1 4 4 SER N N 4 115.060 115.060 115.929 -0.869 19578 522 1 14 . 1 1 4 4 SER HA H 4 4.360 4.360 4.496 -0.136 19578 523 1 14 . 1 1 4 4 SER CA C 4 59.100 59.100 58.953 0.147 19578 524 1 14 . 1 1 4 4 SER CB C 4 62.980 62.980 63.962 -0.982 19578 525 1 14 . 1 1 4 4 SER H H 4 8.450 8.450 8.443 0.007 19578 526 1 14 . 1 1 5 5 ASP N N 5 123.200 123.200 124.052 -0.852 19578 527 1 14 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.025 -0.145 19578 528 1 14 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.737 0.153 19578 529 1 14 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.542 0.198 19578 530 1 14 . 1 1 5 5 ASP H H 5 7.620 7.620 8.224 -0.604 19578 531 1 14 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.491 -0.031 19578 532 1 14 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.889 1.471 19578 533 1 14 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.077 0.193 19578 534 1 14 . 1 1 10 10 TYR N N 10 119.390 119.390 121.875 -2.485 19578 535 1 14 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.645 -0.105 19578 536 1 14 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.274 1.396 19578 537 1 14 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.814 -0.384 19578 538 1 14 . 1 1 10 10 TYR H H 10 8.030 8.030 7.168 0.863 19578 539 1 14 . 1 1 11 11 ASP N N 11 119.160 119.160 118.588 0.572 19578 540 1 14 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.544 -0.084 19578 541 1 14 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.696 -1.076 19578 542 1 14 . 1 1 11 11 ASP CB C 11 40.340 40.340 41.062 -0.722 19578 543 1 14 . 1 1 11 11 ASP H H 11 8.360 8.360 8.598 -0.238 19578 544 1 14 . 1 1 12 12 HIS N N 12 115.970 115.970 111.272 4.698 19578 545 1 14 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.846 0.264 19578 546 1 14 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.807 -1.317 19578 547 1 14 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.279 -0.469 19578 548 1 14 . 1 1 12 12 HIS H H 12 7.770 7.770 8.173 -0.403 19578 549 1 14 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.626 -0.176 19578 550 1 14 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.525 0.515 19578 551 1 14 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.497 -0.457 19578 552 1 14 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.402 -0.032 19578 553 1 14 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.477 1.043 19578 554 1 14 . 1 1 14 14 GLU CB C 14 29.760 29.760 31.155 -1.395 19578 555 1 14 . 1 1 14 14 GLU H H 14 9.060 9.060 7.962 1.098 19578 556 1 14 . 1 1 15 15 ILE N N 15 122.650 122.650 122.714 -0.064 19578 557 1 14 . 1 1 15 15 ILE HA H 15 4.150 4.150 4.062 0.088 19578 558 1 14 . 1 1 15 15 ILE CA C 15 61.170 61.170 60.653 0.517 19578 559 1 14 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.945 3.165 19578 560 1 14 . 1 1 15 15 ILE H H 15 8.130 8.130 8.591 -0.461 19578 561 1 15 . 1 1 4 4 SER N N 4 115.060 115.060 116.996 -1.936 19578 562 1 15 . 1 1 4 4 SER HA H 4 4.360 4.360 4.409 -0.049 19578 563 1 15 . 1 1 4 4 SER CA C 4 59.100 59.100 58.922 0.178 19578 564 1 15 . 1 1 4 4 SER CB C 4 62.980 62.980 63.767 -0.787 19578 565 1 15 . 1 1 4 4 SER H H 4 8.450 8.450 8.597 -0.147 19578 566 1 15 . 1 1 5 5 ASP N N 5 123.200 123.200 123.707 -0.507 19578 567 1 15 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.076 -0.196 19578 568 1 15 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.340 -0.450 19578 569 1 15 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.497 1.243 19578 570 1 15 . 1 1 5 5 ASP H H 5 7.620 7.620 7.849 -0.229 19578 571 1 15 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.415 0.045 19578 572 1 15 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.564 0.796 19578 573 1 15 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.869 0.401 19578 574 1 15 . 1 1 10 10 TYR N N 10 119.390 119.390 120.746 -1.356 19578 575 1 15 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.680 -0.140 19578 576 1 15 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.356 1.314 19578 577 1 15 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.816 -0.386 19578 578 1 15 . 1 1 10 10 TYR H H 10 8.030 8.030 7.366 0.664 19578 579 1 15 . 1 1 11 11 ASP N N 11 119.160 119.160 118.349 0.811 19578 580 1 15 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.545 -0.085 19578 581 1 15 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.658 -1.038 19578 582 1 15 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.907 -0.567 19578 583 1 15 . 1 1 11 11 ASP H H 11 8.360 8.360 8.511 -0.151 19578 584 1 15 . 1 1 12 12 HIS N N 12 115.970 115.970 112.233 3.737 19578 585 1 15 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.759 0.351 19578 586 1 15 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.192 -0.702 19578 587 1 15 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.098 -0.288 19578 588 1 15 . 1 1 12 12 HIS H H 12 7.770 7.770 7.911 -0.141 19578 589 1 15 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.721 -0.271 19578 590 1 15 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.594 1.446 19578 591 1 15 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.050 -0.009 19578 592 1 15 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.318 0.052 19578 593 1 15 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.017 0.503 19578 594 1 15 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.881 -0.121 19578 595 1 15 . 1 1 14 14 GLU H H 14 9.060 9.060 8.512 0.548 19578 596 1 15 . 1 1 15 15 ILE N N 15 122.650 122.650 123.148 -0.498 19578 597 1 15 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.815 0.335 19578 598 1 15 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.021 -0.851 19578 599 1 15 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.490 2.620 19578 600 1 15 . 1 1 15 15 ILE H H 15 8.130 8.130 8.531 -0.401 19578 601 1 16 . 1 1 4 4 SER N N 4 115.060 115.060 116.303 -1.243 19578 602 1 16 . 1 1 4 4 SER HA H 4 4.360 4.360 4.444 -0.084 19578 603 1 16 . 1 1 4 4 SER CA C 4 59.100 59.100 58.776 0.324 19578 604 1 16 . 1 1 4 4 SER CB C 4 62.980 62.980 64.076 -1.096 19578 605 1 16 . 1 1 4 4 SER H H 4 8.450 8.450 8.576 -0.126 19578 606 1 16 . 1 1 5 5 ASP N N 5 123.200 123.200 124.500 -1.300 19578 607 1 16 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.003 -0.123 19578 608 1 16 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.745 -0.855 19578 609 1 16 . 1 1 5 5 ASP CB C 5 42.740 42.740 41.997 0.743 19578 610 1 16 . 1 1 5 5 ASP H H 5 7.620 7.620 8.161 -0.541 19578 611 1 16 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.484 -0.024 19578 612 1 16 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.385 0.975 19578 613 1 16 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.946 0.324 19578 614 1 16 . 1 1 10 10 TYR N N 10 119.390 119.390 121.375 -1.985 19578 615 1 16 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.647 -0.107 19578 616 1 16 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.584 1.086 19578 617 1 16 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.889 -0.459 19578 618 1 16 . 1 1 10 10 TYR H H 10 8.030 8.030 7.439 0.591 19578 619 1 16 . 1 1 11 11 ASP N N 11 119.160 119.160 119.152 0.008 19578 620 1 16 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.552 -0.092 19578 621 1 16 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.713 -1.093 19578 622 1 16 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.745 -0.405 19578 623 1 16 . 1 1 11 11 ASP H H 11 8.360 8.360 8.622 -0.262 19578 624 1 16 . 1 1 12 12 HIS N N 12 115.970 115.970 114.298 1.672 19578 625 1 16 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.806 0.304 19578 626 1 16 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.007 -0.517 19578 627 1 16 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.195 -0.385 19578 628 1 16 . 1 1 12 12 HIS H H 12 7.770 7.770 8.094 -0.324 19578 629 1 16 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.567 -0.117 19578 630 1 16 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.655 1.385 19578 631 1 16 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.139 -0.099 19578 632 1 16 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.369 0.001 19578 633 1 16 . 1 1 14 14 GLU CA C 14 56.520 56.520 55.730 0.790 19578 634 1 16 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.410 -0.650 19578 635 1 16 . 1 1 14 14 GLU H H 14 9.060 9.060 8.405 0.655 19578 636 1 16 . 1 1 15 15 ILE N N 15 122.650 122.650 123.196 -0.546 19578 637 1 16 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.915 0.235 19578 638 1 16 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.263 -0.093 19578 639 1 16 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.417 3.692 19578 640 1 16 . 1 1 15 15 ILE H H 15 8.130 8.130 8.555 -0.425 19578 641 1 17 . 1 1 4 4 SER N N 4 115.060 115.060 116.432 -1.372 19578 642 1 17 . 1 1 4 4 SER HA H 4 4.360 4.360 4.494 -0.134 19578 643 1 17 . 1 1 4 4 SER CA C 4 59.100 59.100 58.540 0.560 19578 644 1 17 . 1 1 4 4 SER CB C 4 62.980 62.980 63.803 -0.823 19578 645 1 17 . 1 1 4 4 SER H H 4 8.450 8.450 8.656 -0.206 19578 646 1 17 . 1 1 5 5 ASP N N 5 123.200 123.200 124.340 -1.140 19578 647 1 17 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.036 -0.156 19578 648 1 17 . 1 1 5 5 ASP CA C 5 51.890 51.890 51.472 0.418 19578 649 1 17 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.614 0.126 19578 650 1 17 . 1 1 5 5 ASP H H 5 7.620 7.620 7.807 -0.187 19578 651 1 17 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.512 -0.052 19578 652 1 17 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.967 1.393 19578 653 1 17 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.083 0.187 19578 654 1 17 . 1 1 10 10 TYR N N 10 119.390 119.390 122.992 -3.602 19578 655 1 17 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.578 -0.038 19578 656 1 17 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.305 1.365 19578 657 1 17 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.746 -0.316 19578 658 1 17 . 1 1 10 10 TYR H H 10 8.030 8.030 7.274 0.756 19578 659 1 17 . 1 1 11 11 ASP N N 11 119.160 119.160 118.308 0.852 19578 660 1 17 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.461 -0.001 19578 661 1 17 . 1 1 11 11 ASP CA C 11 54.620 54.620 56.247 -1.627 19578 662 1 17 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.877 -0.537 19578 663 1 17 . 1 1 11 11 ASP H H 11 8.360 8.360 8.554 -0.194 19578 664 1 17 . 1 1 12 12 HIS N N 12 115.970 115.970 110.937 5.033 19578 665 1 17 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.728 0.382 19578 666 1 17 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.064 -0.574 19578 667 1 17 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.257 -0.447 19578 668 1 17 . 1 1 12 12 HIS H H 12 7.770 7.770 7.934 -0.164 19578 669 1 17 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.440 0.010 19578 670 1 17 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.983 0.057 19578 671 1 17 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.162 -0.122 19578 672 1 17 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.362 0.008 19578 673 1 17 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.382 0.138 19578 674 1 17 . 1 1 14 14 GLU CB C 14 29.760 29.760 30.262 -0.502 19578 675 1 17 . 1 1 14 14 GLU H H 14 9.060 9.060 8.324 0.736 19578 676 1 17 . 1 1 15 15 ILE N N 15 122.650 122.650 117.560 5.090 19578 677 1 17 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.618 0.532 19578 678 1 17 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.288 -1.118 19578 679 1 17 . 1 1 15 15 ILE CB C 15 38.110 38.110 34.871 3.239 19578 680 1 17 . 1 1 15 15 ILE H H 15 8.130 8.130 8.200 -0.070 19578 681 1 18 . 1 1 4 4 SER N N 4 115.060 115.060 117.484 -2.424 19578 682 1 18 . 1 1 4 4 SER HA H 4 4.360 4.360 4.438 -0.078 19578 683 1 18 . 1 1 4 4 SER CA C 4 59.100 59.100 59.758 -0.658 19578 684 1 18 . 1 1 4 4 SER CB C 4 62.980 62.980 63.251 -0.271 19578 685 1 18 . 1 1 4 4 SER H H 4 8.450 8.450 8.414 0.036 19578 686 1 18 . 1 1 5 5 ASP N N 5 123.200 123.200 121.654 1.546 19578 687 1 18 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.966 -0.086 19578 688 1 18 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.297 -0.407 19578 689 1 18 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.403 0.337 19578 690 1 18 . 1 1 5 5 ASP H H 5 7.620 7.620 7.644 -0.024 19578 691 1 18 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.559 -0.098 19578 692 1 18 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.228 1.131 19578 693 1 18 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.113 0.157 19578 694 1 18 . 1 1 10 10 TYR N N 10 119.390 119.390 122.825 -3.435 19578 695 1 18 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.560 -0.020 19578 696 1 18 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.834 0.836 19578 697 1 18 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.229 -0.799 19578 698 1 18 . 1 1 10 10 TYR H H 10 8.030 8.030 7.947 0.083 19578 699 1 18 . 1 1 11 11 ASP N N 11 119.160 119.160 118.613 0.547 19578 700 1 18 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.511 -0.051 19578 701 1 18 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.700 -1.080 19578 702 1 18 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.862 -0.522 19578 703 1 18 . 1 1 11 11 ASP H H 11 8.360 8.360 8.540 -0.180 19578 704 1 18 . 1 1 12 12 HIS N N 12 115.970 115.970 111.950 4.020 19578 705 1 18 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.771 0.339 19578 706 1 18 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.930 -0.440 19578 707 1 18 . 1 1 12 12 HIS CB C 12 28.810 28.810 28.768 0.042 19578 708 1 18 . 1 1 12 12 HIS H H 12 7.770 7.770 7.849 -0.079 19578 709 1 18 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.614 -0.164 19578 710 1 18 . 1 1 13 13 PRO CA C 13 64.040 64.040 62.545 1.494 19578 711 1 18 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.600 -0.560 19578 712 1 18 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.258 0.112 19578 713 1 18 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.351 0.169 19578 714 1 18 . 1 1 14 14 GLU CB C 14 29.760 29.760 27.754 2.006 19578 715 1 18 . 1 1 14 14 GLU H H 14 9.060 9.060 8.623 0.437 19578 716 1 18 . 1 1 15 15 ILE N N 15 122.650 122.650 121.685 0.965 19578 717 1 18 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.741 0.409 19578 718 1 18 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.020 -0.850 19578 719 1 18 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.873 2.237 19578 720 1 18 . 1 1 15 15 ILE H H 15 8.130 8.130 8.150 -0.020 19578 721 1 19 . 1 1 4 4 SER N N 4 115.060 115.060 115.957 -0.897 19578 722 1 19 . 1 1 4 4 SER HA H 4 4.360 4.360 4.472 -0.112 19578 723 1 19 . 1 1 4 4 SER CA C 4 59.100 59.100 58.607 0.493 19578 724 1 19 . 1 1 4 4 SER CB C 4 62.980 62.980 64.041 -1.061 19578 725 1 19 . 1 1 4 4 SER H H 4 8.450 8.450 8.447 0.003 19578 726 1 19 . 1 1 5 5 ASP N N 5 123.200 123.200 124.925 -1.725 19578 727 1 19 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.870 0.010 19578 728 1 19 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.419 -0.529 19578 729 1 19 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.091 0.649 19578 730 1 19 . 1 1 5 5 ASP H H 5 7.620 7.620 8.041 -0.421 19578 731 1 19 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.529 -0.069 19578 732 1 19 . 1 1 6 6 PRO CA C 6 64.360 64.360 62.964 1.396 19578 733 1 19 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.250 0.020 19578 734 1 19 . 1 1 10 10 TYR N N 10 119.390 119.390 122.084 -2.694 19578 735 1 19 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.402 0.138 19578 736 1 19 . 1 1 10 10 TYR CA C 10 57.670 57.670 57.550 0.120 19578 737 1 19 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.731 -0.301 19578 738 1 19 . 1 1 10 10 TYR H H 10 8.030 8.030 7.391 0.639 19578 739 1 19 . 1 1 11 11 ASP N N 11 119.160 119.160 117.938 1.222 19578 740 1 19 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.517 -0.057 19578 741 1 19 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.971 -1.351 19578 742 1 19 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.962 -0.622 19578 743 1 19 . 1 1 11 11 ASP H H 11 8.360 8.360 8.557 -0.197 19578 744 1 19 . 1 1 12 12 HIS N N 12 115.970 115.970 111.264 4.706 19578 745 1 19 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.884 0.226 19578 746 1 19 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.631 -1.141 19578 747 1 19 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.620 -0.810 19578 748 1 19 . 1 1 12 12 HIS H H 12 7.770 7.770 8.085 -0.315 19578 749 1 19 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.665 -0.215 19578 750 1 19 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.438 0.603 19578 751 1 19 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.141 -0.101 19578 752 1 19 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.049 0.321 19578 753 1 19 . 1 1 14 14 GLU CA C 14 56.520 56.520 57.054 -0.534 19578 754 1 19 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.262 0.498 19578 755 1 19 . 1 1 14 14 GLU H H 14 9.060 9.060 8.483 0.577 19578 756 1 19 . 1 1 15 15 ILE N N 15 122.650 122.650 114.939 7.711 19578 757 1 19 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.599 0.551 19578 758 1 19 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.573 -1.403 19578 759 1 19 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.494 2.616 19578 760 1 19 . 1 1 15 15 ILE H H 15 8.130 8.130 8.120 0.010 19578 761 1 20 . 1 1 4 4 SER N N 4 115.060 115.060 116.157 -1.097 19578 762 1 20 . 1 1 4 4 SER HA H 4 4.360 4.360 4.624 -0.264 19578 763 1 20 . 1 1 4 4 SER CA C 4 59.100 59.100 58.910 0.190 19578 764 1 20 . 1 1 4 4 SER CB C 4 62.980 62.980 63.992 -1.012 19578 765 1 20 . 1 1 4 4 SER H H 4 8.450 8.450 8.556 -0.106 19578 766 1 20 . 1 1 5 5 ASP N N 5 123.200 123.200 123.144 0.056 19578 767 1 20 . 1 1 5 5 ASP HA H 5 4.880 4.880 4.924 -0.044 19578 768 1 20 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.101 -0.211 19578 769 1 20 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.104 0.636 19578 770 1 20 . 1 1 5 5 ASP H H 5 7.620 7.620 8.039 -0.419 19578 771 1 20 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.506 -0.046 19578 772 1 20 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.762 0.598 19578 773 1 20 . 1 1 6 6 PRO CB C 6 32.270 32.270 31.816 0.454 19578 774 1 20 . 1 1 10 10 TYR N N 10 119.390 119.390 119.029 0.361 19578 775 1 20 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.768 -0.228 19578 776 1 20 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.799 0.871 19578 777 1 20 . 1 1 10 10 TYR CB C 10 38.430 38.430 39.129 -0.699 19578 778 1 20 . 1 1 10 10 TYR H H 10 8.030 8.030 7.108 0.922 19578 779 1 20 . 1 1 11 11 ASP N N 11 119.160 119.160 119.080 0.080 19578 780 1 20 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.520 -0.060 19578 781 1 20 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.242 -0.622 19578 782 1 20 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.577 -0.237 19578 783 1 20 . 1 1 11 11 ASP H H 11 8.360 8.360 8.482 -0.122 19578 784 1 20 . 1 1 12 12 HIS N N 12 115.970 115.970 114.772 1.198 19578 785 1 20 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.840 0.270 19578 786 1 20 . 1 1 12 12 HIS CA C 12 53.490 53.490 53.675 -0.185 19578 787 1 20 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.813 -1.003 19578 788 1 20 . 1 1 12 12 HIS H H 12 7.770 7.770 8.090 -0.320 19578 789 1 20 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.571 -0.121 19578 790 1 20 . 1 1 13 13 PRO CA C 13 64.040 64.040 61.913 2.127 19578 791 1 20 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.419 -0.379 19578 792 1 20 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.227 0.143 19578 793 1 20 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.068 0.452 19578 794 1 20 . 1 1 14 14 GLU CB C 14 29.760 29.760 28.653 1.107 19578 795 1 20 . 1 1 14 14 GLU H H 14 9.060 9.060 8.628 0.432 19578 796 1 20 . 1 1 15 15 ILE N N 15 122.650 122.650 120.065 2.585 19578 797 1 20 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.585 0.565 19578 798 1 20 . 1 1 15 15 ILE CA C 15 61.170 61.170 62.202 -1.032 19578 799 1 20 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.955 2.155 19578 800 1 20 . 1 1 15 15 ILE H H 15 8.130 8.130 8.108 0.022 19578 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 6 2.531 -0.646 2.681 19578 2 1 1 "Average Difference" HA 9 0.154 0.019 0.162 19578 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19578 4 1 1 "Average Difference" CA 9 0.888 -0.187 0.920 19578 5 1 1 "Average Difference" CB 9 1.167 -0.094 1.234 19578 6 1 1 "Average Difference" HN 7 0.607 -0.192 0.622 19578 7 1 2 "Average Difference" N 6 2.206 -0.558 2.338 19578 8 1 2 "Average Difference" HA 9 0.183 -0.082 0.174 19578 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19578 10 1 2 "Average Difference" CA 9 1.031 -0.091 1.090 19578 11 1 2 "Average Difference" CB 9 1.126 -0.268 1.160 19578 12 1 2 "Average Difference" HN 7 0.561 -0.225 0.556 19578 13 1 3 "Average Difference" N 6 3.574 -0.990 3.762 19578 14 1 3 "Average Difference" HA 9 0.237 -0.077 0.238 19578 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19578 16 1 3 "Average Difference" CA 9 0.979 -0.260 1.002 19578 17 1 3 "Average Difference" CB 9 0.927 -0.247 0.948 19578 18 1 3 "Average Difference" HN 7 0.356 -0.117 0.363 19578 19 1 4 "Average Difference" N 6 1.103 -0.076 1.206 19578 20 1 4 "Average Difference" HA 9 0.231 0.055 0.237 19578 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19578 22 1 4 "Average Difference" CA 9 1.150 -0.340 1.165 19578 23 1 4 "Average Difference" CB 9 1.089 0.383 1.081 19578 24 1 4 "Average Difference" HN 7 0.624 -0.043 0.672 19578 25 1 5 "Average Difference" N 6 2.788 -0.523 3.000 19578 26 1 5 "Average Difference" HA 9 0.258 -0.026 0.272 19578 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19578 28 1 5 "Average Difference" CA 9 0.830 -0.135 0.868 19578 29 1 5 "Average Difference" CB 9 1.236 -0.414 1.235 19578 30 1 5 "Average Difference" HN 7 0.464 -0.024 0.500 19578 31 1 6 "Average Difference" N 6 1.688 0.216 1.834 19578 32 1 6 "Average Difference" HA 9 0.196 0.073 0.193 19578 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19578 34 1 6 "Average Difference" CA 9 0.659 -0.119 0.688 19578 35 1 6 "Average Difference" CB 9 0.650 0.301 0.611 19578 36 1 6 "Average Difference" HN 7 0.542 -0.043 0.583 19578 37 1 7 "Average Difference" N 6 3.063 -1.075 3.142 19578 38 1 7 "Average Difference" HA 9 0.237 -0.043 0.247 19578 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19578 40 1 7 "Average Difference" CA 9 0.821 -0.167 0.852 19578 41 1 7 "Average Difference" CB 9 1.072 -0.274 1.100 19578 42 1 7 "Average Difference" HN 7 0.460 -0.170 0.461 19578 43 1 8 "Average Difference" N 6 1.343 0.044 1.470 19578 44 1 8 "Average Difference" HA 9 0.183 -0.076 0.177 19578 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19578 46 1 8 "Average Difference" CA 9 0.632 0.119 0.658 19578 47 1 8 "Average Difference" CB 9 0.931 -0.029 0.987 19578 48 1 8 "Average Difference" HN 7 0.438 0.004 0.473 19578 49 1 9 "Average Difference" N 6 1.088 0.440 1.090 19578 50 1 9 "Average Difference" HA 9 0.257 0.016 0.272 19578 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19578 52 1 9 "Average Difference" CA 9 0.941 -0.375 0.916 19578 53 1 9 "Average Difference" CB 9 0.826 -0.053 0.874 19578 54 1 9 "Average Difference" HN 7 0.491 0.010 0.530 19578 55 1 10 "Average Difference" N 6 4.143 -1.791 4.092 19578 56 1 10 "Average Difference" HA 9 0.255 -0.077 0.257 19578 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19578 58 1 10 "Average Difference" CA 9 1.046 0.048 1.109 19578 59 1 10 "Average Difference" CB 9 1.484 -0.424 1.508 19578 60 1 10 "Average Difference" HN 7 0.358 -0.101 0.371 19578 61 1 11 "Average Difference" N 6 1.794 -0.099 1.962 19578 62 1 11 "Average Difference" HA 9 0.243 -0.052 0.252 19578 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19578 64 1 11 "Average Difference" CA 9 1.030 -0.418 0.999 19578 65 1 11 "Average Difference" CB 9 1.038 0.184 1.084 19578 66 1 11 "Average Difference" HN 7 0.483 -0.003 0.522 19578 67 1 12 "Average Difference" N 6 2.406 -0.792 2.488 19578 68 1 12 "Average Difference" HA 9 0.223 0.001 0.236 19578 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19578 70 1 12 "Average Difference" CA 9 0.622 -0.171 0.634 19578 71 1 12 "Average Difference" CB 9 0.961 -0.042 1.019 19578 72 1 12 "Average Difference" HN 7 0.506 -0.169 0.516 19578 73 1 13 "Average Difference" N 6 2.868 -0.761 3.029 19578 74 1 13 "Average Difference" HA 9 0.238 -0.064 0.244 19578 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19578 76 1 13 "Average Difference" CA 9 0.832 0.004 0.883 19578 77 1 13 "Average Difference" CB 9 1.080 -0.188 1.128 19578 78 1 13 "Average Difference" HN 7 0.472 -0.002 0.510 19578 79 1 14 "Average Difference" N 6 2.238 -0.167 2.445 19578 80 1 14 "Average Difference" HA 9 0.137 0.040 0.139 19578 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19578 82 1 14 "Average Difference" CA 9 0.981 -0.317 0.985 19578 83 1 14 "Average Difference" CB 9 1.252 0.095 1.324 19578 84 1 14 "Average Difference" HN 7 0.626 -0.037 0.675 19578 85 1 15 "Average Difference" N 6 1.858 -0.042 2.035 19578 86 1 15 "Average Difference" HA 9 0.206 -0.005 0.218 19578 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19578 88 1 15 "Average Difference" CA 9 0.896 -0.133 0.940 19578 89 1 15 "Average Difference" CB 9 1.041 -0.234 1.076 19578 90 1 15 "Average Difference" HN 7 0.381 -0.020 0.411 19578 91 1 16 "Average Difference" N 6 1.308 0.566 1.292 19578 92 1 16 "Average Difference" HA 9 0.150 0.001 0.160 19578 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19578 94 1 16 "Average Difference" CA 9 0.881 -0.222 0.904 19578 95 1 16 "Average Difference" CB 9 1.352 -0.185 1.420 19578 96 1 16 "Average Difference" HN 7 0.454 0.062 0.485 19578 97 1 17 "Average Difference" N 6 3.370 -0.810 3.583 19578 98 1 17 "Average Difference" HA 9 0.230 -0.061 0.235 19578 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19578 100 1 17 "Average Difference" CA 9 0.974 -0.068 1.031 19578 101 1 17 "Average Difference" CB 9 1.158 -0.089 1.225 19578 102 1 17 "Average Difference" HN 7 0.424 -0.096 0.446 19578 103 1 18 "Average Difference" N 6 2.499 -0.203 2.728 19578 104 1 18 "Average Difference" HA 9 0.197 -0.040 0.204 19578 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19578 106 1 18 "Average Difference" CA 9 0.877 -0.022 0.930 19578 107 1 18 "Average Difference" CB 9 1.078 -0.292 1.101 19578 108 1 18 "Average Difference" HN 7 0.185 -0.036 0.196 19578 109 1 19 "Average Difference" N 6 3.961 -1.387 4.064 19578 110 1 19 "Average Difference" HA 9 0.246 -0.088 0.244 19578 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19578 112 1 19 "Average Difference" CA 9 0.956 0.261 0.976 19578 113 1 19 "Average Difference" CB 9 1.043 -0.099 1.101 19578 114 1 19 "Average Difference" HN 7 0.389 -0.042 0.417 19578 115 1 20 "Average Difference" N 6 1.256 -0.530 1.247 19578 116 1 20 "Average Difference" HA 9 0.249 -0.024 0.263 19578 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19578 118 1 20 "Average Difference" CA 9 0.907 -0.243 0.927 19578 119 1 20 "Average Difference" CB 9 1.011 -0.114 1.065 19578 120 1 20 "Average Difference" HN 7 0.438 -0.058 0.469 19578 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19578 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 4 4 SER N N 4 115.060 115.060 116.463 -1.403 19578 2 1 . 1 1 4 4 SER HA H 4 4.360 4.360 4.482 -0.122 19578 3 1 . 1 1 4 4 SER CA C 4 59.100 59.100 59.041 0.058 19578 4 1 . 1 1 4 4 SER CB C 4 62.980 62.980 63.804 -0.824 19578 5 1 . 1 1 4 4 SER H H 4 8.450 8.450 8.446 0.004 19578 6 1 . 1 1 5 5 ASP N N 5 123.200 123.200 123.434 -0.234 19578 7 1 . 1 1 5 5 ASP HA H 5 4.880 4.880 5.021 -0.141 19578 8 1 . 1 1 5 5 ASP CA C 5 51.890 51.890 52.058 -0.168 19578 9 1 . 1 1 5 5 ASP CB C 5 42.740 42.740 42.252 0.488 19578 10 1 . 1 1 5 5 ASP H H 5 7.620 7.620 7.900 -0.280 19578 11 1 . 1 1 6 6 PRO HA H 6 4.460 4.460 4.510 -0.050 19578 12 1 . 1 1 6 6 PRO CA C 6 64.360 64.360 63.289 1.071 19578 13 1 . 1 1 6 6 PRO CB C 6 32.270 32.270 32.043 0.227 19578 14 1 . 1 1 10 10 TYR N N 10 119.390 119.390 121.323 -1.933 19578 15 1 . 1 1 10 10 TYR HA H 10 4.540 4.540 4.644 -0.104 19578 16 1 . 1 1 10 10 TYR CA C 10 57.670 57.670 56.413 1.257 19578 17 1 . 1 1 10 10 TYR CB C 10 38.430 38.430 38.942 -0.512 19578 18 1 . 1 1 10 10 TYR H H 10 8.030 8.030 7.276 0.754 19578 19 1 . 1 1 11 11 ASP N N 11 119.160 119.160 118.772 0.388 19578 20 1 . 1 1 11 11 ASP HA H 11 4.460 4.460 4.526 -0.066 19578 21 1 . 1 1 11 11 ASP CA C 11 54.620 54.620 55.563 -0.943 19578 22 1 . 1 1 11 11 ASP CB C 11 40.340 40.340 40.806 -0.466 19578 23 1 . 1 1 11 11 ASP H H 11 8.360 8.360 8.554 -0.194 19578 24 1 . 1 1 12 12 HIS N N 12 115.970 115.970 112.501 3.469 19578 25 1 . 1 1 12 12 HIS HA H 12 5.110 5.110 4.822 0.288 19578 26 1 . 1 1 12 12 HIS CA C 12 53.490 53.490 54.180 -0.690 19578 27 1 . 1 1 12 12 HIS CB C 12 28.810 28.810 29.378 -0.568 19578 28 1 . 1 1 12 12 HIS H H 12 7.770 7.770 8.033 -0.263 19578 29 1 . 1 1 13 13 PRO HA H 13 4.450 4.450 4.525 -0.075 19578 30 1 . 1 1 13 13 PRO CA C 13 64.040 64.040 63.025 1.015 19578 31 1 . 1 1 13 13 PRO CB C 13 32.040 32.040 32.010 0.030 19578 32 1 . 1 1 14 14 GLU HA H 14 4.370 4.370 4.238 0.132 19578 33 1 . 1 1 14 14 GLU CA C 14 56.520 56.520 56.306 0.214 19578 34 1 . 1 1 14 14 GLU CB C 14 29.760 29.760 29.732 0.028 19578 35 1 . 1 1 14 14 GLU H H 14 9.060 9.060 8.383 0.677 19578 36 1 . 1 1 15 15 ILE N N 15 122.650 122.650 120.182 2.468 19578 37 1 . 1 1 15 15 ILE HA H 15 4.150 4.150 3.781 0.369 19578 38 1 . 1 1 15 15 ILE CA C 15 61.170 61.170 61.709 -0.539 19578 39 1 . 1 1 15 15 ILE CB C 15 38.110 38.110 35.577 2.533 19578 40 1 . 1 1 15 15 ILE H H 15 8.130 8.130 8.371 -0.241 19578 stop_ save_