============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 4 1.000 92.410 31.835 -21.201 -99.200 -91.000 TRP 7 1.040 96.115 33.117 -33.552 -99.200 -91.000 TRP6 7 1.020 96.916 34.639 -31.941 -99.200 -91.000 HIS 16 0.900 84.312 27.411 -40.956 -99.200 -91.000 TRP 23 1.040 75.228 28.140 -47.025 -99.200 -91.000 TRP6 23 1.020 76.640 27.054 -48.556 -99.200 -91.000 PHE 48 1.000 74.294 30.909 -43.781 -99.200 -91.000 HIS 54 0.900 74.167 32.657 -24.942 -99.200 -91.000 TYR 55 0.840 79.668 27.301 -30.010 -99.200 -91.000 PHE 61 1.000 84.554 17.609 -20.272 -99.200 -91.000 PHE 71 1.000 94.638 36.748 -22.963 -99.200 -91.000 HIS 87 0.900 80.700 36.843 -26.102 -99.200 -91.000 PHE 115 1.000 101.550 41.142 -33.400 -99.200 -91.000 HIS 143 0.900 74.705 52.074 -52.633 -99.200 -91.000 TRP 151 1.040 88.103 53.379 -44.036 -99.200 -91.000 TRP6 151 1.020 87.824 51.326 -42.908 -99.200 -91.000 PHE 166 1.000 104.694 44.771 -37.210 -99.200 -91.000 PHE 174 1.000 96.471 50.453 -43.364 -99.200 -91.000 HIS 187 0.900 83.279 43.542 -46.503 -99.200 -91.000 PHE 189 1.000 77.974 42.342 -46.978 -99.200 -91.000 PHE 195 1.000 76.627 33.875 -49.364 -99.200 -91.000 PHE 196 1.000 74.686 42.961 -50.522 -99.200 -91.000 TYR 197 0.840 81.158 37.614 -54.091 -99.200 -91.000 PHE 204 1.000 90.826 47.300 -47.078 -99.200 -91.000 TRP 206 1.040 95.726 56.171 -44.317 -99.200 -91.000 TRP6 206 1.020 97.809 56.313 -43.215 -99.200 -91.000 TRP 224 1.040 71.240 19.744 -50.986 -99.200 -91.000 TRP6 224 1.020 70.561 17.531 -50.531 -99.200 -91.000 TYR 232 0.840 55.842 33.322 -60.562 -99.200 -91.000 PHE 265 1.000 100.800 46.198 -41.853 -99.200 -91.000 TRP 276 1.040 83.855 31.000 -37.425 -99.200 -91.000 TRP6 276 1.020 82.405 32.630 -38.321 -99.200 -91.000 TYR 281 0.840 89.414 38.283 -27.565 -99.200 -91.000 TYR 283 0.840 84.250 33.550 -23.909 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hi1J1 THR 90 HA 0.04 -0.05 0.11 -0.75 4.39 3.74 3hi1J1 THR 90 HB 0.02 -0.02 0.14 -0.04 4.32 4.41 3hi1J1 THR 90 HG23 0.02 -0.01 0.04 -0.04 1.22 1.23 3hi1J1 GLU 91 H 0.05 0.29 0.16 -0.55 8.60 8.56 3hi1J1 GLU 91 HA 0.01 0.11 0.77 -0.75 4.29 4.42 3hi1J1 GLU 91 HB2 0.07 0.13 0.16 -0.04 2.09 2.40 3hi1J1 GLU 91 HB3 0.07 -0.00 -0.11 -0.04 1.99 1.91 3hi1J1 GLU 91 HG2 0.01 0.00 -0.08 -0.04 2.34 2.23 3hi1J1 GLU 91 HG3 0.02 0.00 -0.04 -0.04 2.34 2.27 3hi1J1 ASN 92 H -0.04 0.14 0.16 -0.55 8.53 8.24 3hi1J1 ASN 92 HA 0.15 0.25 0.68 -0.75 4.76 5.08 3hi1J1 ASN 92 HB2 0.00 -0.01 0.09 -0.04 2.88 2.92 3hi1J1 ASN 92 HB3 0.02 -0.02 -0.12 -0.04 2.79 2.63 3hi1J1 ASN 92 HD21 0.05 -0.01 -0.06 -0.04 7.03 6.97 3hi1J1 ASN 92 HD22 0.03 -0.01 -0.04 -0.04 7.74 7.68 3hi1J1 PHE 93 H 0.34 0.56 0.26 -0.55 8.34 8.94 3hi1J1 PHE 93 HA 0.10 0.12 0.77 -0.75 4.62 4.86 3hi1J1 PHE 93 HB2 0.45 0.03 -0.09 -0.04 3.15 3.51 3hi1J1 PHE 93 HB3 0.29 0.10 -0.12 -0.04 3.06 3.29 3hi1J1 PHE 93 HD2 0.02 0.10 -0.32 -0.04 7.28 7.04 3hi1J1 PHE 93 HE2 -0.09 0.04 -0.33 -0.04 7.38 6.95 3hi1J1 PHE 93 HZ -0.11 -0.06 -0.47 -0.04 7.32 6.64 3hi1J1 ASN 94 H 0.17 0.24 0.04 -0.55 8.53 8.43 3hi1J1 ASN 94 HA 0.23 0.19 0.87 -0.75 4.76 5.29 3hi1J1 ASN 94 HB2 0.15 0.05 -0.01 -0.04 2.88 3.04 3hi1J1 ASN 94 HB3 0.12 0.08 0.20 -0.04 2.79 3.15 3hi1J1 ASN 94 HD21 0.18 0.02 -0.05 -0.04 7.03 7.14 3hi1J1 ASN 94 HD22 0.12 0.07 0.05 -0.04 7.74 7.94 3hi1J1 MET 95 H -0.01 0.66 0.14 -0.55 8.47 8.71 3hi1J1 MET 95 HA -0.03 0.10 0.32 -0.75 4.52 4.16 3hi1J1 MET 95 HB2 -0.31 -0.01 0.13 -0.04 2.15 1.92 3hi1J1 MET 95 HB3 -0.19 0.20 0.22 -0.04 2.03 2.21 3hi1J1 MET 95 HG2 -1.32 -0.04 -0.08 -0.04 2.63 1.15 3hi1J1 MET 95 HG3 -2.09 -0.06 -0.35 -0.04 2.56 0.02 3hi1J1 MET 95 HE3 -0.51 0.01 -0.11 -0.04 2.10 1.44 3hi1J1 TRP 96 H 0.24 0.02 -0.61 -0.55 7.97 7.07 3hi1J1 TRP 96 HA 0.02 0.16 0.61 -0.75 4.62 4.66 3hi1J1 TRP 96 HB2 0.01 0.01 0.01 -0.04 3.23 3.22 3hi1J1 TRP 96 HB3 -0.01 -0.01 0.07 -0.04 3.23 3.24 3hi1J1 TRP 96 HD1 -0.03 -0.03 0.00 -0.04 7.22 7.13 3hi1J1 TRP 96 HE1 -0.07 0.07 -0.07 -0.04 10.20 10.09 3hi1J1 TRP 96 HE3 -0.01 -0.03 -0.07 -0.04 7.59 7.44 3hi1J1 TRP 96 HZ2 -0.12 0.06 -0.43 -0.04 7.44 6.92 3hi1J1 TRP 96 HZ3 -0.06 0.04 -0.20 -0.04 7.13 6.87 3hi1J1 TRP 96 HH2 -0.10 0.08 -0.14 -0.04 7.19 6.99 3hi1J1 LYS 97 H 0.16 0.44 -0.22 -0.55 8.42 8.25 3hi1J1 LYS 97 HA 0.10 0.09 0.65 -0.75 4.32 4.41 3hi1J1 LYS 97 HB2 0.10 0.02 0.21 -0.04 1.87 2.17 3hi1J1 LYS 97 HB3 0.07 -0.03 0.13 -0.04 1.79 1.92 3hi1J1 LYS 97 HG2 0.09 0.05 0.03 -0.04 1.46 1.59 3hi1J1 LYS 97 HG3 0.15 -0.06 -0.33 -0.04 1.46 1.17 3hi1J1 LYS 97 HD2 0.08 0.00 0.02 -0.04 1.69 1.74 3hi1J1 LYS 97 HD3 0.06 -0.01 0.02 -0.04 1.68 1.70 3hi1J1 LYS 97 HE2 0.05 0.00 -0.02 -0.04 2.99 2.99 3hi1J1 LYS 97 HE3 0.07 -0.00 -0.04 -0.04 2.99 2.97 3hi1J1 ASN 98 H 0.06 0.18 -0.19 -0.55 8.53 8.03 3hi1J1 ASN 98 HA 0.05 0.18 0.93 -0.75 4.76 5.16 3hi1J1 ASN 98 HB2 0.05 0.23 -0.15 -0.04 2.88 2.97 3hi1J1 ASN 98 HB3 0.03 0.01 0.14 -0.04 2.79 2.93 3hi1J1 ASN 98 HD21 0.09 0.06 -0.05 -0.04 7.03 7.08 3hi1J1 ASN 98 HD22 0.07 0.09 -0.01 -0.04 7.74 7.85 3hi1J1 ASN 99 H 0.03 0.30 0.07 -0.55 8.53 8.39 3hi1J1 ASN 99 HA 0.04 -0.01 0.27 -0.75 4.76 4.30 3hi1J1 ASN 99 HB2 0.02 0.06 0.04 -0.04 2.88 2.96 3hi1J1 ASN 99 HB3 0.02 0.02 0.08 -0.04 2.79 2.88 3hi1J1 ASN 99 HD21 0.03 0.05 0.02 -0.04 7.03 7.10 3hi1J1 ASN 99 HD22 0.02 0.03 0.05 -0.04 7.74 7.81 3hi1J1 MET 100 H 0.01 0.08 -0.72 -0.55 8.47 7.29 3hi1J1 MET 100 HA -0.07 0.06 0.44 -0.75 4.52 4.20 3hi1J1 MET 100 HB2 -0.03 0.09 -0.02 -0.04 2.15 2.15 3hi1J1 MET 100 HB3 -0.19 0.04 -0.04 -0.04 2.03 1.80 3hi1J1 MET 100 HG2 -0.02 0.02 -0.05 -0.04 2.63 2.53 3hi1J1 MET 100 HG3 0.01 -0.09 -0.04 -0.04 2.56 2.39 3hi1J1 MET 100 HE3 -0.10 0.01 -0.13 -0.04 2.10 1.84 3hi1J1 VAL 101 H 0.02 0.75 0.05 -0.55 8.24 8.50 3hi1J1 VAL 101 HA 0.10 0.06 0.44 -0.75 4.13 3.96 3hi1J1 VAL 101 HB 0.07 -0.03 0.11 -0.04 2.12 2.23 3hi1J1 VAL 101 HG13 0.16 -0.02 -0.09 -0.04 0.97 0.98 3hi1J1 VAL 101 HG23 0.05 0.04 0.00 -0.04 0.95 1.00 3hi1J1 GLU 102 H 0.07 0.15 -0.13 -0.55 8.60 8.14 3hi1J1 GLU 102 HA 0.14 -0.01 0.37 -0.75 4.29 4.03 3hi1J1 GLU 102 HB2 0.06 0.03 0.14 -0.04 2.09 2.28 3hi1J1 GLU 102 HB3 0.08 0.03 -0.03 -0.04 1.99 2.03 3hi1J1 GLU 102 HG2 0.05 0.04 0.01 -0.04 2.34 2.40 3hi1J1 GLU 102 HG3 0.06 -0.02 0.03 -0.04 2.34 2.38 3hi1J1 GLN 103 H 0.04 0.74 -0.22 -0.55 8.47 8.47 3hi1J1 GLN 103 HA 0.07 -0.02 0.36 -0.75 4.36 4.01 3hi1J1 GLN 103 HB2 0.04 0.01 0.10 -0.04 2.15 2.25 3hi1J1 GLN 103 HB3 -0.01 0.08 0.18 -0.04 2.02 2.23 3hi1J1 GLN 103 HG2 0.11 -0.01 -0.02 -0.04 2.40 2.44 3hi1J1 GLN 103 HG3 0.24 0.02 -0.18 -0.04 2.39 2.43 3hi1J1 GLN 103 HE21 0.05 -0.01 0.01 -0.04 6.97 6.97 3hi1J1 GLN 103 HE22 0.09 0.03 -0.03 -0.04 7.69 7.74 3hi1J1 MET 104 H -0.09 0.66 -0.06 -0.55 8.47 8.43 3hi1J1 MET 104 HA 0.03 0.01 0.40 -0.75 4.52 4.21 3hi1J1 MET 104 HB2 -0.56 0.02 0.11 -0.04 2.15 1.68 3hi1J1 MET 104 HB3 -0.22 0.07 0.21 -0.04 2.03 2.05 3hi1J1 MET 104 HG2 -1.00 -0.05 -0.34 -0.04 2.63 1.20 3hi1J1 MET 104 HG3 -0.35 -0.00 0.00 -0.04 2.56 2.17 3hi1J1 MET 104 HE3 -0.25 0.02 -0.04 -0.04 2.10 1.79 3hi1J1 HIS 105 H 0.17 0.61 -0.09 -0.55 8.41 8.55 3hi1J1 HIS 105 HA 0.04 -0.02 0.38 -0.75 4.63 4.27 3hi1J1 HIS 105 HB2 0.49 -0.00 0.10 -0.04 3.26 3.81 3hi1J1 HIS 105 HB3 0.19 0.16 0.14 -0.04 3.20 3.65 3hi1J1 HIS 105 HD2 0.14 0.05 -0.10 -0.04 6.97 7.02 3hi1J1 HIS 105 HE1 0.19 -0.02 -0.03 -0.04 7.75 7.84 3hi1J1 GLU 106 H 0.15 0.58 -0.11 -0.55 8.60 8.67 3hi1J1 GLU 106 HA 0.06 -0.05 0.42 -0.75 4.29 3.97 3hi1J1 GLU 106 HB2 0.07 0.34 0.23 -0.04 2.09 2.68 3hi1J1 GLU 106 HB3 0.06 -0.06 0.01 -0.04 1.99 1.95 3hi1J1 GLU 106 HG2 0.12 0.26 0.07 -0.04 2.34 2.75 3hi1J1 GLU 106 HG3 0.07 -0.05 0.01 -0.04 2.34 2.33 3hi1J1 ASP 107 H 0.02 0.48 -0.15 -0.55 8.40 8.20 3hi1J1 ASP 107 HA 0.01 -0.03 0.37 -0.75 4.63 4.23 3hi1J1 ASP 107 HB2 -0.01 0.13 0.18 -0.04 2.71 2.97 3hi1J1 ASP 107 HB3 -0.02 -0.03 0.05 -0.04 2.70 2.66 3hi1J1 ILE 108 H -0.13 0.61 -0.01 -0.55 8.25 8.18 3hi1J1 ILE 108 HA 0.00 0.03 0.42 -0.75 4.18 3.88 3hi1J1 ILE 108 HB -0.21 0.09 0.15 -0.04 1.89 1.87 3hi1J1 ILE 108 HG12 -0.32 0.01 -0.03 -0.04 1.49 1.11 3hi1J1 ILE 108 HG13 -0.32 0.01 0.02 -0.04 1.21 0.88 3hi1J1 ILE 108 HG23 0.13 -0.02 -0.19 -0.04 0.93 0.81 3hi1J1 ILE 108 HD13 -1.43 -0.02 -0.14 -0.04 0.88 -0.74 3hi1J1 ILE 109 H -0.06 0.66 -0.12 -0.55 8.25 8.18 3hi1J1 ILE 109 HA 0.16 -0.02 0.44 -0.75 4.18 4.00 3hi1J1 ILE 109 HB 0.03 0.24 0.23 -0.04 1.89 2.34 3hi1J1 ILE 109 HG12 -0.39 0.18 0.02 -0.04 1.49 1.27 3hi1J1 ILE 109 HG13 -0.04 -0.07 -0.02 -0.04 1.21 1.04 3hi1J1 ILE 109 HG23 0.16 -0.03 -0.13 -0.04 0.93 0.90 3hi1J1 ILE 109 HD13 -0.02 -0.03 -0.02 -0.04 0.88 0.77 3hi1J1 SER 110 H 0.07 0.67 0.03 -0.55 8.46 8.68 3hi1J1 SER 110 HA 0.07 -0.06 0.48 -0.75 4.49 4.22 3hi1J1 SER 110 HB2 0.04 0.19 0.23 -0.04 3.95 4.37 3hi1J1 SER 110 HB3 0.03 -0.05 0.03 -0.04 3.93 3.89 3hi1J1 LEU 111 H 0.11 0.78 -0.03 -0.55 8.37 8.69 3hi1J1 LEU 111 HA 0.10 -0.02 0.35 -0.75 4.35 4.02 3hi1J1 LEU 111 HB2 0.08 -0.03 0.10 -0.04 1.64 1.75 3hi1J1 LEU 111 HB3 0.26 0.15 0.15 -0.04 1.64 2.16 3hi1J1 LEU 111 HG 0.43 -0.02 -0.15 -0.04 1.64 1.86 3hi1J1 LEU 111 HD13 0.07 0.00 0.03 -0.04 0.93 0.98 3hi1J1 LEU 111 HD23 -0.08 -0.00 -0.01 -0.04 0.89 0.76 3hi1J1 TRP 112 H 0.35 0.36 -0.66 -0.55 7.97 7.47 3hi1J1 TRP 112 HA -0.34 0.06 0.55 -0.75 4.62 4.14 3hi1J1 TRP 112 HB2 -0.27 0.02 0.08 -0.04 3.23 3.02 3hi1J1 TRP 112 HB3 -0.11 0.13 0.21 -0.04 3.23 3.43 3hi1J1 TRP 112 HD1 -1.73 0.01 0.03 -0.04 7.22 5.48 3hi1J1 TRP 112 HE1 -0.06 -0.00 -0.01 -0.04 10.20 10.09 3hi1J1 TRP 112 HE3 -0.04 0.05 -0.02 -0.04 7.59 7.54 3hi1J1 TRP 112 HZ2 0.01 -0.03 -0.05 -0.04 7.44 7.33 3hi1J1 TRP 112 HZ3 -0.00 -0.03 -0.04 -0.04 7.13 7.03 3hi1J1 TRP 112 HH2 -0.02 -0.02 -0.04 -0.04 7.19 7.06 3hi1J1 ASP 113 H 0.09 0.50 0.18 -0.55 8.40 8.62 3hi1J1 ASP 113 HA -0.39 -0.01 0.49 -0.75 4.63 3.96 3hi1J1 ASP 113 HB2 -0.03 0.03 0.18 -0.04 2.71 2.86 3hi1J1 ASP 113 HB3 -0.05 -0.05 0.05 -0.04 2.70 2.61 3hi1J1 GLN 114 H -0.05 0.76 0.05 -0.55 8.47 8.68 3hi1J1 GLN 114 HA -0.16 -0.04 0.41 -0.75 4.36 3.81 3hi1J1 GLN 114 HB2 -0.04 -0.08 0.05 -0.04 2.15 2.04 3hi1J1 GLN 114 HB3 0.00 0.13 0.05 -0.04 2.02 2.16 3hi1J1 GLN 114 HG2 -0.08 -0.02 0.01 -0.04 2.40 2.28 3hi1J1 GLN 114 HG3 -0.03 -0.08 -0.01 -0.04 2.39 2.22 3hi1J1 GLN 114 HE21 -0.01 -0.26 0.06 -0.04 6.97 6.72 3hi1J1 GLN 114 HE22 -0.04 0.04 0.00 -0.04 7.69 7.65 3hi1J1 SER 115 H -0.10 0.25 -0.69 -0.55 8.46 7.37 3hi1J1 SER 115 HA -0.07 0.03 0.29 -0.75 4.49 3.99 3hi1J1 SER 115 HB2 0.06 -0.14 0.14 -0.04 3.95 3.96 3hi1J1 SER 115 HB3 0.12 0.20 0.17 -0.04 3.93 4.38 3hi1J1 LEU 116 H -0.33 0.62 -0.41 -0.55 8.37 7.70 3hi1J1 LEU 116 HA -0.20 0.14 0.97 -0.75 4.35 4.50 3hi1J1 LEU 116 HB2 -0.39 0.04 0.18 -0.04 1.64 1.43 3hi1J1 LEU 116 HB3 -0.15 -0.20 0.05 -0.04 1.64 1.30 3hi1J1 LEU 116 HG -0.84 0.30 -0.05 -0.04 1.64 1.00 3hi1J1 LEU 116 HD13 -0.81 -0.09 -0.02 -0.04 0.93 -0.03 3hi1J1 LEU 116 HD23 -0.22 0.02 -0.06 -0.04 0.89 0.59 3hi1J1 LYS 117 H -0.56 0.34 0.12 -0.55 8.42 7.77 3hi1J1 LYS 117 HA -1.10 -0.06 0.42 -0.75 4.32 2.83 3hi1J1 LYS 117 HB2 -0.50 0.06 0.03 -0.04 1.87 1.42 3hi1J1 LYS 117 HB3 -0.95 -0.01 0.09 -0.04 1.79 0.87 3hi1J1 LYS 117 HG2 -1.39 -0.08 0.05 -0.04 1.46 -0.01 3hi1J1 LYS 117 HG3 -0.54 0.09 -0.06 -0.04 1.46 0.91 3hi1J1 LYS 117 HD2 -0.43 -0.01 -0.02 -0.04 1.69 1.19 3hi1J1 LYS 117 HD3 -1.18 -0.01 0.00 -0.04 1.68 0.45 3hi1J1 LYS 117 HE2 -0.16 -0.02 -0.04 -0.04 2.99 2.73 3hi1J1 LYS 117 HE3 -0.15 -0.04 -0.08 -0.04 2.99 2.67 3hi1J1 PRO 118 HA -0.11 0.17 0.66 -0.51 4.44 4.66 3hi1J1 PRO 118 HB2 -0.03 0.06 -0.01 -0.04 2.28 2.26 3hi1J1 PRO 118 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 3hi1J1 PRO 118 HG2 0.06 -0.03 -0.01 -0.04 2.03 2.01 3hi1J1 PRO 118 HG3 0.07 0.06 -0.00 -0.04 2.03 2.12 3hi1J1 PRO 118 HD2 -0.28 0.03 0.13 -0.04 3.68 3.52 3hi1J1 PRO 118 HD3 -0.26 0.07 0.20 -0.04 3.65 3.61 3hi1J1 CYS 119 H -0.06 0.09 0.09 -0.55 8.50 8.08 3hi1J1 CYS 119 HA -0.08 0.09 0.47 -0.75 4.58 4.31 3hi1J1 CYS 119 HB2 -0.03 -0.05 0.06 -0.04 2.97 2.91 3hi1J1 CYS 119 HB3 -0.04 0.10 -0.02 -0.04 2.97 2.97 3hi1J1 VAL 120 H -0.06 0.14 0.15 -0.55 8.24 7.92 3hi1J1 VAL 120 HA -0.02 0.07 0.74 -0.75 4.13 4.17 3hi1J1 VAL 120 HB -0.01 0.04 0.02 -0.04 2.12 2.13 3hi1J1 VAL 120 HG13 -0.04 0.01 0.01 -0.04 0.97 0.91 3hi1J1 VAL 120 HG23 -0.03 -0.01 0.05 -0.04 0.95 0.92 3hi1J1 LYS 121 H -0.00 0.08 0.12 -0.55 8.42 8.07 3hi1J1 LYS 121 HA -0.01 0.04 0.39 -0.75 4.32 3.99 3hi1J1 LYS 121 HB2 -0.00 0.01 0.09 -0.04 1.87 1.93 3hi1J1 LYS 121 HB3 -0.00 0.00 0.13 -0.04 1.79 1.87 3hi1J1 LYS 121 HG2 0.00 -0.05 0.05 -0.04 1.46 1.43 3hi1J1 LYS 121 HG3 -0.00 0.04 -0.23 -0.04 1.46 1.23 3hi1J1 LYS 121 HD2 0.00 -0.02 0.00 -0.04 1.69 1.64 3hi1J1 LYS 121 HD3 0.00 -0.05 -0.04 -0.04 1.68 1.56 3hi1J1 LYS 121 HE2 -0.00 0.18 -0.09 -0.04 2.99 3.04 3hi1J1 LYS 121 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 3hi1J1 LEU 122 H -0.01 0.06 0.17 -0.55 8.37 8.05 3hi1J1 LEU 122 HA -0.01 0.15 0.64 -0.75 4.35 4.38 3hi1J1 LEU 122 HB2 -0.01 -0.02 -0.00 -0.04 1.64 1.57 3hi1J1 LEU 122 HB3 -0.01 -0.00 0.11 -0.04 1.64 1.70 3hi1J1 LEU 122 HG -0.01 0.01 0.06 -0.04 1.64 1.66 3hi1J1 LEU 122 HD13 -0.01 0.01 0.01 -0.04 0.93 0.90 3hi1J1 LEU 122 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.75 3hi1J1 THR 123 H -0.00 0.20 0.18 -0.55 8.28 8.10 3hi1J1 THR 123 HA -0.00 0.20 0.81 -0.75 4.39 4.65 3hi1J1 THR 123 HB -0.00 -0.09 0.06 -0.04 4.32 4.25 3hi1J1 THR 123 HG23 -0.00 0.02 -0.20 -0.04 1.22 1.00 3hi1J1 GLY 124 H -0.00 0.09 0.05 -0.55 8.43 8.02 3hi1J1 GLY 124 HA2 -0.00 -0.02 0.37 -0.51 4.01 3.85 3hi1J1 GLY 124 HA3 -0.00 0.21 0.73 -0.51 4.01 4.44 3hi1J1 GLY 198 H -0.00 0.13 0.12 -0.55 8.43 8.13 3hi1J1 GLY 198 HA2 -0.00 0.11 0.41 -0.51 4.01 4.02 3hi1J1 GLY 198 HA3 -0.00 0.02 0.32 -0.51 4.01 3.84 3hi1J1 SER 199 H -0.00 0.02 -0.48 -0.55 8.46 7.44 3hi1J1 SER 199 HA -0.00 0.23 0.83 -0.75 4.49 4.80 3hi1J1 SER 199 HB2 -0.00 0.02 0.07 -0.04 3.95 4.00 3hi1J1 SER 199 HB3 -0.00 -0.01 -0.04 -0.04 3.93 3.83 3hi1J1 VAL 200 H -0.00 0.36 -0.23 -0.55 8.24 7.82 3hi1J1 VAL 200 HA -0.01 0.11 0.70 -0.75 4.13 4.18 3hi1J1 VAL 200 HB -0.01 0.05 -0.16 -0.04 2.12 1.96 3hi1J1 VAL 200 HG13 -0.01 -0.03 -0.26 -0.04 0.97 0.63 3hi1J1 VAL 200 HG23 -0.00 0.02 -0.20 -0.04 0.95 0.72 3hi1J1 ILE 201 H -0.01 0.13 0.04 -0.55 8.25 7.87 3hi1J1 ILE 201 HA -0.01 0.05 0.34 -0.75 4.18 3.81 3hi1J1 ILE 201 HB -0.01 -0.07 0.17 -0.04 1.89 1.94 3hi1J1 ILE 201 HG12 -0.01 -0.00 0.01 -0.04 1.49 1.45 3hi1J1 ILE 201 HG13 -0.01 0.00 0.12 -0.04 1.21 1.28 3hi1J1 ILE 201 HG23 -0.01 0.00 -0.02 -0.04 0.93 0.86 3hi1J1 ILE 201 HD13 -0.01 0.01 0.02 -0.04 0.88 0.86 3hi1J1 THR 202 H -0.01 0.17 0.09 -0.55 8.28 7.98 3hi1J1 THR 202 HA -0.01 0.27 0.67 -0.75 4.39 4.57 3hi1J1 THR 202 HB -0.01 -0.32 0.14 -0.04 4.32 4.10 3hi1J1 THR 202 HG23 -0.01 0.03 0.01 -0.04 1.22 1.21 3hi1J1 GLN 203 H -0.01 0.15 0.11 -0.55 8.47 8.18 3hi1J1 GLN 203 HA -0.01 0.16 0.66 -0.75 4.36 4.42 3hi1J1 GLN 203 HB2 -0.01 -0.00 0.05 -0.04 2.15 2.15 3hi1J1 GLN 203 HB3 -0.01 0.02 0.07 -0.04 2.02 2.06 3hi1J1 GLN 203 HG2 -0.01 -0.01 -0.10 -0.04 2.40 2.25 3hi1J1 GLN 203 HG3 -0.00 0.02 0.00 -0.04 2.39 2.36 3hi1J1 GLN 203 HE21 -0.00 0.13 -0.10 -0.04 6.97 6.95 3hi1J1 GLN 203 HE22 -0.00 0.02 -0.14 -0.04 7.69 7.53 3hi1J1 ALA 204 H -0.01 -0.06 -0.12 -0.55 8.40 7.67 3hi1J1 ALA 204 HA -0.01 0.06 0.45 -0.75 4.34 4.08 3hi1J1 ALA 204 HB3 -0.01 0.01 0.04 -0.04 1.41 1.40 3hi1J1 CYS 205 H -0.02 0.14 0.21 -0.55 8.50 8.28 3hi1J1 CYS 205 HA -0.02 0.18 0.82 -0.75 4.58 4.80 3hi1J1 CYS 205 HB2 -0.03 0.02 0.06 -0.04 2.97 2.97 3hi1J1 CYS 205 HB3 -0.03 0.05 0.02 -0.04 2.97 2.97 3hi1J1 PRO 206 HA -0.02 0.07 0.56 -0.51 4.44 4.54 3hi1J1 PRO 206 HB2 -0.02 0.02 -0.08 -0.04 2.28 2.17 3hi1J1 PRO 206 HB3 -0.02 0.01 0.03 -0.04 2.02 2.00 3hi1J1 PRO 206 HG2 -0.02 0.03 0.10 -0.04 2.03 2.09 3hi1J1 PRO 206 HG3 -0.02 0.01 0.06 -0.04 2.03 2.05 3hi1J1 PRO 206 HD2 -0.03 0.09 0.19 -0.04 3.68 3.88 3hi1J1 PRO 206 HD3 -0.02 0.16 0.21 -0.04 3.65 3.95 3hi1J1 LYS 207 H -0.02 0.19 0.15 -0.55 8.42 8.19 3hi1J1 LYS 207 HA -0.03 0.18 0.85 -0.75 4.32 4.56 3hi1J1 LYS 207 HB2 -0.02 -0.07 0.09 -0.04 1.87 1.83 3hi1J1 LYS 207 HB3 -0.03 0.08 -0.12 -0.04 1.79 1.69 3hi1J1 LYS 207 HG2 -0.05 -0.07 -0.35 -0.04 1.46 0.95 3hi1J1 LYS 207 HG3 -0.05 -0.00 -0.08 -0.04 1.46 1.28 3hi1J1 LYS 207 HD2 -0.09 0.11 -0.05 -0.04 1.69 1.62 3hi1J1 LYS 207 HD3 -0.07 -0.07 0.01 -0.04 1.68 1.52 3hi1J1 LYS 207 HE2 -0.10 -0.16 -0.21 -0.04 2.99 2.48 3hi1J1 LYS 207 HE3 -0.12 0.06 -0.14 -0.04 2.99 2.74 3hi1J1 VAL 208 H -0.01 0.19 0.02 -0.55 8.24 7.89 3hi1J1 VAL 208 HA 0.00 0.05 0.74 -0.75 4.13 4.16 3hi1J1 VAL 208 HB 0.01 0.00 0.12 -0.04 2.12 2.21 3hi1J1 VAL 208 HG13 0.01 0.05 -0.09 -0.04 0.97 0.89 3hi1J1 VAL 208 HG23 -0.01 -0.01 -0.06 -0.04 0.95 0.83 3hi1J1 SER 209 H 0.02 0.08 0.14 -0.55 8.46 8.15 3hi1J1 SER 209 HA 0.08 0.12 0.33 -0.75 4.49 4.27 3hi1J1 SER 209 HB2 0.06 -0.00 -0.03 -0.04 3.95 3.94 3hi1J1 SER 209 HB3 0.04 0.06 0.08 -0.04 3.93 4.06 3hi1J1 PHE 210 H 0.24 0.16 0.03 -0.55 8.34 8.22 3hi1J1 PHE 210 HA 0.07 0.19 0.47 -0.75 4.62 4.60 3hi1J1 PHE 210 HB2 0.18 0.13 0.11 -0.04 3.15 3.53 3hi1J1 PHE 210 HB3 0.12 -0.14 0.13 -0.04 3.06 3.13 3hi1J1 PHE 210 HD2 0.14 0.01 -0.10 -0.04 7.28 7.29 3hi1J1 PHE 210 HE2 0.15 0.03 -0.10 -0.04 7.38 7.41 3hi1J1 PHE 210 HZ 0.03 -0.05 -0.10 -0.04 7.32 7.16 3hi1J1 GLU 211 H -0.11 0.52 0.22 -0.55 8.60 8.68 3hi1J1 GLU 211 HA -0.16 0.04 0.74 -0.75 4.29 4.16 3hi1J1 GLU 211 HB2 -0.05 0.05 -0.15 -0.04 2.09 1.90 3hi1J1 GLU 211 HB3 -0.06 0.06 -0.00 -0.04 1.99 1.95 3hi1J1 GLU 211 HG2 -0.01 -0.06 -0.13 -0.04 2.34 2.10 3hi1J1 GLU 211 HG3 0.01 -0.12 -0.80 -0.04 2.34 1.39 3hi1J1 PRO 212 HA -0.14 0.11 0.37 -0.51 4.44 4.27 3hi1J1 PRO 212 HB2 -0.06 -0.04 0.04 -0.04 2.28 2.18 3hi1J1 PRO 212 HB3 -0.05 0.20 -0.29 -0.04 2.02 1.84 3hi1J1 PRO 212 HG2 -0.05 0.02 0.04 -0.04 2.03 2.00 3hi1J1 PRO 212 HG3 -0.07 0.02 0.07 -0.04 2.03 2.01 3hi1J1 PRO 212 HD2 -0.07 0.09 0.14 -0.04 3.68 3.80 3hi1J1 PRO 212 HD3 -0.10 0.03 0.19 -0.04 3.65 3.73 3hi1J1 ILE 213 H -0.12 0.14 0.25 -0.55 8.25 7.96 3hi1J1 ILE 213 HA -0.06 0.17 0.82 -0.75 4.18 4.35 3hi1J1 ILE 213 HB -0.09 -0.06 0.12 -0.04 1.89 1.81 3hi1J1 ILE 213 HG12 -0.09 0.24 0.05 -0.04 1.49 1.66 3hi1J1 ILE 213 HG13 -0.05 -0.06 0.00 -0.04 1.21 1.07 3hi1J1 ILE 213 HG23 -0.06 0.00 -0.15 -0.04 0.93 0.68 3hi1J1 ILE 213 HD13 -0.05 0.01 -0.17 -0.04 0.88 0.63 3hi1J1 PRO 214 HA -0.11 0.07 0.26 -0.51 4.44 4.15 3hi1J1 PRO 214 HB2 -0.07 -0.03 -0.05 -0.04 2.28 2.09 3hi1J1 PRO 214 HB3 -0.05 0.02 -0.02 -0.04 2.02 1.93 3hi1J1 PRO 214 HG2 -0.03 0.00 0.12 -0.04 2.03 2.08 3hi1J1 PRO 214 HG3 -0.03 0.02 0.06 -0.04 2.03 2.05 3hi1J1 PRO 214 HD2 -0.05 0.08 0.23 -0.04 3.68 3.90 3hi1J1 PRO 214 HD3 -0.04 0.20 0.15 -0.04 3.65 3.91 3hi1J1 ILE 215 H -0.18 0.37 0.26 -0.55 8.25 8.15 3hi1J1 ILE 215 HA -0.13 0.13 0.98 -0.75 4.18 4.42 3hi1J1 ILE 215 HB -0.08 0.02 0.14 -0.04 1.89 1.93 3hi1J1 ILE 215 HG12 -0.11 -0.02 -0.16 -0.04 1.49 1.16 3hi1J1 ILE 215 HG13 -0.10 0.03 -0.91 -0.04 1.21 0.18 3hi1J1 ILE 215 HG23 -0.22 -0.02 -0.13 -0.04 0.93 0.52 3hi1J1 ILE 215 HD13 -0.11 -0.02 -0.01 -0.04 0.88 0.70 3hi1J1 HIS 216 H -0.00 0.16 0.13 -0.55 8.41 8.16 3hi1J1 HIS 216 HA -0.09 0.28 0.79 -0.75 4.63 4.85 3hi1J1 HIS 216 HB2 -0.09 -0.05 -0.05 -0.04 3.26 3.04 3hi1J1 HIS 216 HB3 -0.07 0.11 -0.01 -0.04 3.20 3.19 3hi1J1 HIS 216 HD2 -0.06 0.03 -0.07 -0.04 6.97 6.82 3hi1J1 HIS 216 HE1 0.01 -0.07 -0.03 -0.04 7.75 7.62 3hi1J1 TYR 217 H 0.07 0.14 0.15 -0.55 8.29 8.11 3hi1J1 TYR 217 HA -0.06 0.22 0.93 -0.75 4.56 4.90 3hi1J1 TYR 217 HB2 -0.16 -0.02 0.07 -0.04 3.06 2.91 3hi1J1 TYR 217 HB3 -0.09 0.00 -0.05 -0.04 2.98 2.80 3hi1J1 TYR 217 HD2 -0.11 -0.01 -0.18 -0.04 7.15 6.80 3hi1J1 TYR 217 HE2 -0.12 0.01 -0.09 -0.04 6.85 6.61 3hi1J1 CYS 218 H -0.01 0.24 0.14 -0.55 8.50 8.31 3hi1J1 CYS 218 HA 0.02 0.29 1.09 -0.75 4.58 5.23 3hi1J1 CYS 218 HB2 -0.04 -0.03 -0.07 -0.04 2.97 2.79 3hi1J1 CYS 218 HB3 -0.02 0.11 -0.04 -0.04 2.97 2.99 3hi1J1 ALA 219 H 0.03 0.47 0.25 -0.55 8.40 8.61 3hi1J1 ALA 219 HA -0.00 0.10 0.64 -0.75 4.34 4.32 3hi1J1 ALA 219 HB3 0.10 -0.01 -0.12 -0.04 1.41 1.34 3hi1J1 PRO 220 HA 0.04 0.08 0.59 -0.51 4.44 4.64 3hi1J1 PRO 220 HB2 0.17 0.15 -0.03 -0.04 2.28 2.52 3hi1J1 PRO 220 HB3 0.03 -0.01 0.12 -0.04 2.02 2.12 3hi1J1 PRO 220 HG2 -0.25 0.02 0.04 -0.04 2.03 1.79 3hi1J1 PRO 220 HG3 -0.08 0.05 0.05 -0.04 2.03 2.01 3hi1J1 PRO 220 HD2 -0.14 0.05 0.12 -0.04 3.68 3.66 3hi1J1 PRO 220 HD3 -0.11 0.16 0.24 -0.04 3.65 3.90 3hi1J1 ALA 221 H 0.08 0.07 0.15 -0.55 8.40 8.15 3hi1J1 ALA 221 HA 0.06 0.09 0.51 -0.75 4.34 4.24 3hi1J1 ALA 221 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 3hi1J1 GLY 222 H 0.01 0.15 0.21 -0.55 8.43 8.25 3hi1J1 GLY 222 HA2 -0.12 -0.01 0.37 -0.51 4.01 3.74 3hi1J1 GLY 222 HA3 -0.16 0.12 0.61 -0.51 4.01 4.07 3hi1J1 PHE 223 H 0.15 0.39 -0.18 -0.55 8.34 8.15 3hi1J1 PHE 223 HA 0.01 0.07 0.87 -0.75 4.62 4.81 3hi1J1 PHE 223 HB2 0.01 0.16 -0.06 -0.04 3.15 3.22 3hi1J1 PHE 223 HB3 0.01 -0.07 0.08 -0.04 3.06 3.03 3hi1J1 PHE 223 HD2 0.01 0.06 -0.33 -0.04 7.28 6.97 3hi1J1 PHE 223 HE2 0.01 -0.03 -0.06 -0.04 7.38 7.26 3hi1J1 PHE 223 HZ 0.01 -0.03 -0.03 -0.04 7.32 7.22 3hi1J1 ALA 224 H 0.20 0.55 0.37 -0.55 8.40 8.98 3hi1J1 ALA 224 HA 0.09 0.11 0.63 -0.75 4.34 4.42 3hi1J1 ALA 224 HB3 0.05 0.03 -0.13 -0.04 1.41 1.32 3hi1J1 ILE 225 H 0.08 0.61 0.30 -0.55 8.25 8.69 3hi1J1 ILE 225 HA 0.10 0.29 1.19 -0.75 4.18 5.00 3hi1J1 ILE 225 HB 0.12 0.04 -0.12 -0.04 1.89 1.89 3hi1J1 ILE 225 HG12 0.08 -0.04 -0.21 -0.04 1.49 1.28 3hi1J1 ILE 225 HG13 0.08 -0.10 -0.30 -0.04 1.21 0.85 3hi1J1 ILE 225 HG23 0.24 -0.02 -0.31 -0.04 0.93 0.80 3hi1J1 ILE 225 HD13 0.05 -0.00 -0.31 -0.04 0.88 0.57 3hi1J1 LEU 226 H 0.09 0.60 0.30 -0.55 8.37 8.82 3hi1J1 LEU 226 HA 0.09 0.13 0.88 -0.75 4.35 4.70 3hi1J1 LEU 226 HB2 -0.03 -0.01 0.07 -0.04 1.64 1.64 3hi1J1 LEU 226 HB3 0.20 0.01 -0.16 -0.04 1.64 1.64 3hi1J1 LEU 226 HG 0.04 0.05 -0.14 -0.04 1.64 1.54 3hi1J1 LEU 226 HD13 0.02 0.01 -0.31 -0.04 0.93 0.61 3hi1J1 LEU 226 HD23 -0.10 -0.01 -0.11 -0.04 0.89 0.63 3hi1J1 LYS 227 H 0.06 0.89 0.30 -0.55 8.42 9.11 3hi1J1 LYS 227 HA -0.22 0.39 1.12 -0.75 4.32 4.85 3hi1J1 LYS 227 HB2 -0.07 -0.06 -0.06 -0.04 1.87 1.64 3hi1J1 LYS 227 HB3 -0.04 -0.03 0.09 -0.04 1.79 1.77 3hi1J1 LYS 227 HG2 -0.24 -0.06 -0.34 -0.04 1.46 0.79 3hi1J1 LYS 227 HG3 -0.58 0.13 -0.05 -0.04 1.46 0.92 3hi1J1 LYS 227 HD2 -0.01 -0.04 -0.05 -0.04 1.69 1.55 3hi1J1 LYS 227 HD3 -0.03 -0.06 -0.06 -0.04 1.68 1.48 3hi1J1 LYS 227 HE2 -0.13 -0.02 -0.05 -0.04 2.99 2.76 3hi1J1 LYS 227 HE3 -0.28 0.06 -0.03 -0.04 2.99 2.70 3hi1J1 CYS 228 H -0.57 0.59 0.18 -0.55 8.50 8.15 3hi1J1 CYS 228 HA -0.44 -0.02 0.55 -0.75 4.58 3.91 3hi1J1 CYS 228 HB2 -2.22 0.05 -0.04 -0.04 2.97 0.71 3hi1J1 CYS 228 HB3 -1.15 0.05 0.10 -0.04 2.97 1.92 3hi1J1 ASN 229 H -0.28 0.32 0.24 -0.55 8.53 8.27 3hi1J1 ASN 229 HA -0.20 0.23 0.91 -0.75 4.76 4.95 3hi1J1 ASN 229 HB2 -0.11 0.25 0.19 -0.04 2.88 3.16 3hi1J1 ASN 229 HB3 -0.09 -0.09 0.17 -0.04 2.79 2.74 3hi1J1 ASN 229 HD21 -0.07 -0.02 -0.02 -0.04 7.03 6.88 3hi1J1 ASN 229 HD22 -0.08 -0.05 0.01 -0.04 7.74 7.58 3hi1J1 ASP 230 H -0.31 -0.02 0.00 -0.55 8.40 7.53 3hi1J1 ASP 230 HA -0.07 -0.02 0.49 -0.75 4.63 4.28 3hi1J1 ASP 230 HB2 -0.17 -0.01 0.06 -0.04 2.71 2.55 3hi1J1 ASP 230 HB3 0.02 0.21 -0.05 -0.04 2.70 2.85 3hi1J1 LYS 231 H -0.01 0.05 0.19 -0.55 8.42 8.10 3hi1J1 LYS 231 HA 0.01 0.04 0.48 -0.75 4.32 4.10 3hi1J1 LYS 231 HB2 0.01 -0.04 0.15 -0.04 1.87 1.95 3hi1J1 LYS 231 HB3 0.01 0.03 -0.03 -0.04 1.79 1.76 3hi1J1 LYS 231 HG2 -0.00 0.00 0.04 -0.04 1.46 1.46 3hi1J1 LYS 231 HG3 -0.00 0.01 0.08 -0.04 1.46 1.51 3hi1J1 LYS 231 HD2 -0.02 0.08 0.11 -0.04 1.69 1.82 3hi1J1 LYS 231 HD3 -0.01 -0.04 0.08 -0.04 1.68 1.68 3hi1J1 LYS 231 HE2 -0.01 -0.01 0.03 -0.04 2.99 2.96 3hi1J1 LYS 231 HE3 -0.01 0.03 0.03 -0.04 2.99 3.00 3hi1J1 LYS 232 H 0.04 0.06 0.16 -0.55 8.42 8.12 3hi1J1 LYS 232 HA 0.06 0.01 0.33 -0.75 4.32 3.97 3hi1J1 LYS 232 HB2 0.03 0.06 -0.11 -0.04 1.87 1.81 3hi1J1 LYS 232 HB3 0.02 0.06 0.12 -0.04 1.79 1.95 3hi1J1 LYS 232 HG2 0.01 0.06 0.04 -0.04 1.46 1.52 3hi1J1 LYS 232 HG3 0.01 -0.11 0.01 -0.04 1.46 1.33 3hi1J1 LYS 232 HD2 -0.01 0.07 -0.01 -0.04 1.69 1.70 3hi1J1 LYS 232 HD3 -0.00 -0.06 -0.01 -0.04 1.68 1.56 3hi1J1 LYS 232 HE2 0.00 -0.06 -0.09 -0.04 2.99 2.81 3hi1J1 LYS 232 HE3 0.01 0.07 -0.12 -0.04 2.99 2.91 3hi1J1 PHE 233 H 0.22 0.09 -0.14 -0.55 8.34 7.95 3hi1J1 PHE 233 HA -0.00 0.06 0.35 -0.75 4.62 4.27 3hi1J1 PHE 233 HB2 -0.07 0.11 -0.05 -0.04 3.15 3.09 3hi1J1 PHE 233 HB3 0.01 0.02 -0.02 -0.04 3.06 3.03 3hi1J1 PHE 233 HD2 -0.10 0.06 -0.06 -0.04 7.28 7.14 3hi1J1 PHE 233 HE2 -0.13 0.26 -0.21 -0.04 7.38 7.26 3hi1J1 PHE 233 HZ 0.06 0.12 -0.36 -0.04 7.32 7.10 3hi1J1 ASN 234 H -0.11 0.15 0.15 -0.55 8.53 8.17 3hi1J1 ASN 234 HA -0.11 0.14 0.40 -0.75 4.76 4.43 3hi1J1 ASN 234 HB2 -0.04 0.02 0.19 -0.04 2.88 3.01 3hi1J1 ASN 234 HB3 -0.22 0.05 0.10 -0.04 2.79 2.67 3hi1J1 ASN 234 HD21 0.05 -0.03 0.08 -0.04 7.03 7.09 3hi1J1 ASN 234 HD22 0.02 0.00 0.09 -0.04 7.74 7.81 3hi1J1 GLY 235 H -2.75 0.05 -0.38 -0.55 8.43 4.80 3hi1J1 GLY 235 HA2 -0.48 0.05 0.18 -0.51 4.01 3.25 3hi1J1 GLY 235 HA3 -0.35 0.17 0.62 -0.51 4.01 3.94 3hi1J1 THR 236 H -0.21 0.18 -0.52 -0.55 8.28 7.19 3hi1J1 THR 236 HA 0.21 0.40 0.85 -0.75 4.39 5.10 3hi1J1 THR 236 HB 0.22 0.00 0.03 -0.04 4.32 4.53 3hi1J1 THR 236 HG23 0.56 -0.03 -0.07 -0.04 1.22 1.64 3hi1J1 GLY 237 H 0.23 0.44 0.32 -0.55 8.43 8.88 3hi1J1 GLY 237 HA2 0.15 -0.03 0.36 -0.51 4.01 3.97 3hi1J1 GLY 237 HA3 0.16 0.21 0.94 -0.51 4.01 4.81 3hi1J1 PRO 238 HA 0.18 0.48 0.55 -0.51 4.44 5.13 3hi1J1 PRO 238 HB2 0.09 -0.01 -0.09 -0.04 2.28 2.23 3hi1J1 PRO 238 HB3 0.09 0.04 -0.02 -0.04 2.02 2.09 3hi1J1 PRO 238 HG2 0.08 0.03 0.04 -0.04 2.03 2.14 3hi1J1 PRO 238 HG3 0.08 0.03 0.01 -0.04 2.03 2.11 3hi1J1 PRO 238 HD2 0.13 0.12 0.20 -0.04 3.68 4.10 3hi1J1 PRO 238 HD3 0.12 0.06 0.24 -0.04 3.65 4.03 3hi1J1 CYS 239 H 0.12 0.43 0.28 -0.55 8.50 8.78 3hi1J1 CYS 239 HA -0.06 0.07 0.71 -0.75 4.58 4.54 3hi1J1 CYS 239 HB2 -0.57 0.09 -0.20 -0.04 2.97 2.24 3hi1J1 CYS 239 HB3 0.04 0.07 -0.08 -0.04 2.97 2.95 3hi1J1 THR 240 H -0.07 0.05 0.10 -0.55 8.28 7.81 3hi1J1 THR 240 HA -0.01 0.26 0.74 -0.75 4.39 4.64 3hi1J1 THR 240 HB -0.01 0.04 0.01 -0.04 4.32 4.32 3hi1J1 THR 240 HG23 0.01 0.02 -0.06 -0.04 1.22 1.15 3hi1J1 ASN 241 H -0.09 0.01 0.05 -0.55 8.53 7.96 3hi1J1 ASN 241 HA -0.04 0.23 0.76 -0.75 4.76 4.95 3hi1J1 ASN 241 HB2 -0.08 -0.07 0.03 -0.04 2.88 2.71 3hi1J1 ASN 241 HB3 -0.05 0.07 0.04 -0.04 2.79 2.81 3hi1J1 ASN 241 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.98 3hi1J1 ASN 241 HD22 -0.04 0.05 -0.01 -0.04 7.74 7.70 3hi1J1 VAL 242 H -0.03 0.38 -0.07 -0.55 8.24 7.98 3hi1J1 VAL 242 HA -0.09 0.21 0.85 -0.75 4.13 4.34 3hi1J1 VAL 242 HB 0.03 0.02 0.06 -0.04 2.12 2.18 3hi1J1 VAL 242 HG13 0.16 0.01 -0.39 -0.04 0.97 0.71 3hi1J1 VAL 242 HG23 0.02 -0.01 -0.39 -0.04 0.95 0.52 3hi1J1 SER 243 H -0.06 0.31 0.19 -0.55 8.46 8.36 3hi1J1 SER 243 HA -0.00 0.06 0.66 -0.75 4.49 4.45 3hi1J1 SER 243 HB2 -0.00 0.00 0.06 -0.04 3.95 3.97 3hi1J1 SER 243 HB3 -0.03 -0.02 0.06 -0.04 3.93 3.90 3hi1J1 THR 244 H 0.02 0.15 0.20 -0.55 8.28 8.09 3hi1J1 THR 244 HA 0.05 0.20 1.08 -0.75 4.39 4.97 3hi1J1 THR 244 HB 0.03 0.04 -0.03 -0.04 4.32 4.32 3hi1J1 THR 244 HG23 0.02 0.01 -0.09 -0.04 1.22 1.11 3hi1J1 VAL 245 H 0.08 0.90 0.38 -0.55 8.24 9.04 3hi1J1 VAL 245 HA 0.05 0.17 0.99 -0.75 4.13 4.58 3hi1J1 VAL 245 HB 0.08 -0.12 0.14 -0.04 2.12 2.18 3hi1J1 VAL 245 HG13 0.06 -0.01 -0.26 -0.04 0.97 0.72 3hi1J1 VAL 245 HG23 0.17 0.02 -0.18 -0.04 0.95 0.91 3hi1J1 GLN 246 H 0.04 0.12 0.21 -0.55 8.47 8.29 3hi1J1 GLN 246 HA 0.04 0.13 0.82 -0.75 4.36 4.60 3hi1J1 GLN 246 HB2 0.02 0.00 0.10 -0.04 2.15 2.23 3hi1J1 GLN 246 HB3 0.01 -0.00 0.11 -0.04 2.02 2.09 3hi1J1 GLN 246 HG2 0.01 -0.02 -0.04 -0.04 2.40 2.31 3hi1J1 GLN 246 HG3 0.02 0.06 0.11 -0.04 2.39 2.55 3hi1J1 GLN 246 HE21 -0.01 -0.03 -0.01 -0.04 6.97 6.88 3hi1J1 GLN 246 HE22 -0.00 0.05 -0.02 -0.04 7.69 7.68 3hi1J1 CYS 247 H 0.04 0.09 0.13 -0.55 8.50 8.21 3hi1J1 CYS 247 HA 0.02 0.30 0.93 -0.75 4.58 5.09 3hi1J1 CYS 247 HB2 -0.03 -0.06 -0.03 -0.04 2.97 2.81 3hi1J1 CYS 247 HB3 0.02 0.07 0.04 -0.04 2.97 3.05 3hi1J1 THR 248 H -0.04 0.40 0.27 -0.55 8.28 8.37 3hi1J1 THR 248 HA -0.16 0.10 0.66 -0.75 4.39 4.23 3hi1J1 THR 248 HB -0.88 0.04 0.14 -0.04 4.32 3.58 3hi1J1 THR 248 HG23 -0.63 0.02 -0.01 -0.04 1.22 0.56 3hi1J1 HIS 249 H 0.20 0.10 0.10 -0.55 8.41 8.26 3hi1J1 HIS 249 HA 0.15 0.05 0.51 -0.75 4.63 4.59 3hi1J1 HIS 249 HB2 0.07 0.02 0.08 -0.04 3.26 3.39 3hi1J1 HIS 249 HB3 0.13 -0.01 0.10 -0.04 3.20 3.38 3hi1J1 HIS 249 HD2 0.02 0.27 -0.26 -0.04 6.97 6.96 3hi1J1 HIS 249 HE1 0.28 0.19 0.02 -0.04 7.75 8.20 3hi1J1 GLY 250 H 0.09 0.07 0.08 -0.55 8.43 8.12 3hi1J1 GLY 250 HA2 -0.79 0.13 0.24 -0.51 4.01 3.09 3hi1J1 GLY 250 HA3 -0.42 -0.02 0.18 -0.51 4.01 3.24 3hi1J1 ILE 251 H -0.26 0.60 0.30 -0.55 8.25 8.34 3hi1J1 ILE 251 HA 0.00 0.17 0.94 -0.75 4.18 4.54 3hi1J1 ILE 251 HB -0.10 0.00 0.13 -0.04 1.89 1.87 3hi1J1 ILE 251 HG12 -0.33 -0.01 -0.21 -0.04 1.49 0.90 3hi1J1 ILE 251 HG13 -0.43 0.17 -0.20 -0.04 1.21 0.70 3hi1J1 ILE 251 HG23 0.06 -0.02 -0.13 -0.04 0.93 0.80 3hi1J1 ILE 251 HD13 -0.24 -0.04 -0.06 -0.04 0.88 0.51 3hi1J1 ARG 252 H -0.00 0.22 -0.01 -0.55 8.46 8.12 3hi1J1 ARG 252 HA -0.07 0.37 0.62 -0.75 4.34 4.51 3hi1J1 ARG 252 HB2 -0.02 0.02 0.10 -0.04 1.90 1.97 3hi1J1 ARG 252 HB3 -0.04 0.05 -0.18 -0.04 1.80 1.59 3hi1J1 ARG 252 HG2 -0.06 -0.02 -0.40 -0.04 1.67 1.16 3hi1J1 ARG 252 HG3 -0.03 -0.05 -0.21 -0.04 1.67 1.34 3hi1J1 ARG 252 HD2 -0.02 -0.01 -0.05 -0.04 3.22 3.10 3hi1J1 ARG 252 HD3 -0.03 0.12 -0.10 -0.04 3.22 3.16 3hi1J1 PRO 253 HA 0.12 0.03 0.14 -0.51 4.44 4.22 3hi1J1 PRO 253 HB2 -0.30 -0.02 -0.09 -0.04 2.28 1.82 3hi1J1 PRO 253 HB3 -0.17 -0.03 -0.04 -0.04 2.02 1.74 3hi1J1 PRO 253 HG2 -0.27 0.00 0.03 -0.04 2.03 1.75 3hi1J1 PRO 253 HG3 -0.14 0.01 -0.06 -0.04 2.03 1.80 3hi1J1 PRO 253 HD2 -0.13 -0.01 0.18 -0.04 3.68 3.68 3hi1J1 PRO 253 HD3 -0.10 0.72 0.17 -0.04 3.65 4.40 3hi1J1 VAL 254 H 0.24 0.18 0.13 -0.55 8.24 8.24 3hi1J1 VAL 254 HA 0.06 0.15 0.94 -0.75 4.13 4.53 3hi1J1 VAL 254 HB 0.07 -0.05 0.07 -0.04 2.12 2.18 3hi1J1 VAL 254 HG13 0.01 0.01 -0.08 -0.04 0.97 0.87 3hi1J1 VAL 254 HG23 0.02 0.02 -0.13 -0.04 0.95 0.81 3hi1J1 VAL 255 H 0.13 0.16 0.11 -0.55 8.24 8.09 3hi1J1 VAL 255 HA 0.32 0.06 0.59 -0.75 4.13 4.34 3hi1J1 VAL 255 HB 0.24 -0.06 0.19 -0.04 2.12 2.45 3hi1J1 VAL 255 HG13 0.22 -0.01 -0.18 -0.04 0.97 0.96 3hi1J1 VAL 255 HG23 0.34 0.02 -0.06 -0.04 0.95 1.21 3hi1J1 SER 256 H 0.03 0.24 0.28 -0.55 8.46 8.46 3hi1J1 SER 256 HA 0.06 0.11 0.53 -0.75 4.49 4.43 3hi1J1 SER 256 HB2 0.08 0.14 0.27 -0.04 3.95 4.39 3hi1J1 SER 256 HB3 0.10 -0.02 -0.18 -0.04 3.93 3.78 3hi1J1 THR 257 H -0.04 0.58 0.35 -0.55 8.28 8.62 3hi1J1 THR 257 HA -0.02 0.10 0.85 -0.75 4.39 4.57 3hi1J1 THR 257 HB -0.00 0.01 0.15 -0.04 4.32 4.43 3hi1J1 THR 257 HG23 -0.06 -0.04 -0.23 -0.04 1.22 0.85 3hi1J1 GLN 258 H 0.02 0.07 0.16 -0.55 8.47 8.18 3hi1J1 GLN 258 HA 0.03 0.41 0.73 -0.75 4.36 4.77 3hi1J1 GLN 258 HB2 0.32 0.00 0.23 -0.04 2.15 2.65 3hi1J1 GLN 258 HB3 0.11 -0.00 0.12 -0.04 2.02 2.21 3hi1J1 GLN 258 HG2 0.02 -0.01 -0.09 -0.04 2.40 2.28 3hi1J1 GLN 258 HG3 0.12 -0.04 -0.29 -0.04 2.39 2.13 3hi1J1 GLN 258 HE21 0.06 0.25 -0.15 -0.04 6.97 7.09 3hi1J1 GLN 258 HE22 0.02 0.45 -0.13 -0.04 7.69 7.99 3hi1J1 LEU 259 H 0.35 0.77 0.34 -0.55 8.37 9.29 3hi1J1 LEU 259 HA 0.09 0.19 1.08 -0.75 4.35 4.96 3hi1J1 LEU 259 HB2 -0.11 0.00 0.11 -0.04 1.64 1.60 3hi1J1 LEU 259 HB3 -0.05 0.01 -0.04 -0.04 1.64 1.51 3hi1J1 LEU 259 HG -0.11 -0.02 -0.02 -0.04 1.64 1.45 3hi1J1 LEU 259 HD13 -0.50 -0.02 -0.05 -0.04 0.93 0.32 3hi1J1 LEU 259 HD23 0.21 0.03 -0.07 -0.04 0.89 1.01 3hi1J1 LEU 260 H 0.05 0.61 0.06 -0.55 8.37 8.54 3hi1J1 LEU 260 HA 0.03 0.08 0.56 -0.75 4.35 4.26 3hi1J1 LEU 260 HB2 0.02 -0.11 -0.05 -0.04 1.64 1.46 3hi1J1 LEU 260 HB3 0.02 0.03 -0.11 -0.04 1.64 1.54 3hi1J1 LEU 260 HG 0.01 -0.02 -0.37 -0.04 1.64 1.21 3hi1J1 LEU 260 HD13 -0.01 -0.01 -0.10 -0.04 0.93 0.77 3hi1J1 LEU 260 HD23 -0.04 0.02 -0.13 -0.04 0.89 0.69 3hi1J1 LEU 261 H 0.03 0.22 0.16 -0.55 8.37 8.23 3hi1J1 LEU 261 HA -0.02 0.22 1.03 -0.75 4.35 4.83 3hi1J1 LEU 261 HB2 -0.02 -0.01 0.01 -0.04 1.64 1.57 3hi1J1 LEU 261 HB3 -0.08 -0.02 -0.04 -0.04 1.64 1.46 3hi1J1 LEU 261 HG 0.03 0.14 -0.41 -0.04 1.64 1.35 3hi1J1 LEU 261 HD13 -0.17 0.00 -0.10 -0.04 0.93 0.62 3hi1J1 LEU 261 HD23 -0.12 -0.01 -0.25 -0.04 0.89 0.48 3hi1J1 ASN 262 H -0.02 0.93 0.41 -0.55 8.53 9.30 3hi1J1 ASN 262 HA -0.01 -0.04 0.39 -0.75 4.76 4.36 3hi1J1 ASN 262 HB2 0.00 0.13 -0.22 -0.04 2.88 2.75 3hi1J1 ASN 262 HB3 0.00 0.02 0.23 -0.04 2.79 3.01 3hi1J1 ASN 262 HD21 -0.05 0.02 0.01 -0.04 7.03 6.98 3hi1J1 ASN 262 HD22 -0.03 0.08 -0.01 -0.04 7.74 7.74 3hi1J1 GLY 263 H 0.02 -0.05 -0.47 -0.55 8.43 7.39 3hi1J1 GLY 263 HA2 0.07 0.12 0.44 -0.51 4.01 4.14 3hi1J1 GLY 263 HA3 0.05 0.01 0.15 -0.51 4.01 3.71 3hi1J1 SER 264 H 0.08 0.10 0.08 -0.55 8.46 8.17 3hi1J1 SER 264 HA 0.02 0.08 0.60 -0.75 4.49 4.43 3hi1J1 SER 264 HB2 0.09 0.03 0.04 -0.04 3.95 4.07 3hi1J1 SER 264 HB3 0.02 0.04 0.03 -0.04 3.93 3.98 3hi1J1 LEU 265 H 0.01 0.09 0.11 -0.55 8.37 8.03 3hi1J1 LEU 265 HA 0.00 0.28 0.76 -0.75 4.35 4.64 3hi1J1 LEU 265 HB2 -0.00 -0.07 0.02 -0.04 1.64 1.55 3hi1J1 LEU 265 HB3 -0.00 0.15 -0.08 -0.04 1.64 1.67 3hi1J1 LEU 265 HG 0.00 -0.00 -0.19 -0.04 1.64 1.41 3hi1J1 LEU 265 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.80 3hi1J1 LEU 265 HD23 -0.00 -0.02 -0.36 -0.04 0.89 0.46 3hi1J1 ALA 266 H -0.01 0.67 -0.14 -0.55 8.40 8.37 3hi1J1 ALA 266 HA 0.01 -0.03 0.34 -0.75 4.34 3.90 3hi1J1 ALA 266 HB3 -0.02 -0.00 -0.24 -0.04 1.41 1.10 3hi1J1 GLU 267 H 0.02 0.05 0.15 -0.55 8.60 8.28 3hi1J1 GLU 267 HA 0.00 0.11 0.25 -0.75 4.29 3.90 3hi1J1 GLU 267 HB2 0.02 0.00 0.19 -0.04 2.09 2.26 3hi1J1 GLU 267 HB3 0.01 -0.10 0.12 -0.04 1.99 1.97 3hi1J1 GLU 267 HG2 -0.00 0.03 0.03 -0.04 2.34 2.35 3hi1J1 GLU 267 HG3 -0.00 0.03 0.07 -0.04 2.34 2.39 3hi1J1 GLU 268 H -0.00 -0.02 -0.17 -0.55 8.60 7.86 3hi1J1 GLU 268 HA -0.01 0.24 0.93 -0.75 4.29 4.70 3hi1J1 GLU 268 HB2 -0.01 -0.10 0.15 -0.04 2.09 2.09 3hi1J1 GLU 268 HB3 -0.01 0.02 0.01 -0.04 1.99 1.97 3hi1J1 GLU 268 HG2 -0.00 0.07 -0.09 -0.04 2.34 2.28 3hi1J1 GLU 268 HG3 -0.00 -0.11 -0.20 -0.04 2.34 1.99 3hi1J1 GLU 269 H -0.01 0.08 0.09 -0.55 8.60 8.21 3hi1J1 GLU 269 HA -0.02 0.22 0.88 -0.75 4.29 4.61 3hi1J1 GLU 269 HB2 -0.02 -0.01 0.04 -0.04 2.09 2.05 3hi1J1 GLU 269 HB3 -0.03 0.01 0.12 -0.04 1.99 2.05 3hi1J1 GLU 269 HG2 -0.02 0.00 0.00 -0.04 2.34 2.28 3hi1J1 GLU 269 HG3 -0.02 0.05 0.04 -0.04 2.34 2.37 3hi1J1 ILE 270 H -0.04 0.09 0.13 -0.55 8.25 7.88 3hi1J1 ILE 270 HA -0.04 0.07 0.46 -0.75 4.18 3.92 3hi1J1 ILE 270 HB -0.06 0.03 0.06 -0.04 1.89 1.87 3hi1J1 ILE 270 HG12 -0.06 -0.05 0.14 -0.04 1.49 1.48 3hi1J1 ILE 270 HG13 -0.09 0.06 -0.06 -0.04 1.21 1.08 3hi1J1 ILE 270 HG23 -0.07 0.01 -0.19 -0.04 0.93 0.63 3hi1J1 ILE 270 HD13 -0.07 -0.07 0.07 -0.04 0.88 0.77 3hi1J1 VAL 271 H -0.04 0.59 0.36 -0.55 8.24 8.60 3hi1J1 VAL 271 HA -0.03 0.16 1.00 -0.75 4.13 4.51 3hi1J1 VAL 271 HB -0.05 -0.03 0.14 -0.04 2.12 2.14 3hi1J1 VAL 271 HG13 -0.02 0.01 -0.13 -0.04 0.97 0.79 3hi1J1 VAL 271 HG23 -0.01 0.04 -0.06 -0.04 0.95 0.87 3hi1J1 ILE 272 H 0.00 0.21 0.17 -0.55 8.25 8.08 3hi1J1 ILE 272 HA 0.03 0.35 1.13 -0.75 4.18 4.94 3hi1J1 ILE 272 HB 0.16 0.00 -0.09 -0.04 1.89 1.92 3hi1J1 ILE 272 HG12 -0.02 -0.02 0.01 -0.04 1.49 1.42 3hi1J1 ILE 272 HG13 0.15 0.00 -0.22 -0.04 1.21 1.10 3hi1J1 ILE 272 HG23 -0.01 -0.02 -0.25 -0.04 0.93 0.61 3hi1J1 ILE 272 HD13 0.04 0.00 -0.18 -0.04 0.88 0.70 3hi1J1 ARG 273 H 0.13 0.44 0.27 -0.55 8.46 8.75 3hi1J1 ARG 273 HA 0.35 0.16 0.88 -0.75 4.34 4.97 3hi1J1 ARG 273 HB2 0.02 0.02 -0.01 -0.04 1.90 1.89 3hi1J1 ARG 273 HB3 0.28 -0.06 -0.06 -0.04 1.80 1.92 3hi1J1 ARG 273 HG2 0.12 0.21 0.10 -0.04 1.67 2.06 3hi1J1 ARG 273 HG3 0.03 0.07 -0.33 -0.04 1.67 1.40 3hi1J1 ARG 273 HD2 -0.27 -0.10 -0.11 -0.04 3.22 2.70 3hi1J1 ARG 273 HD3 -0.17 0.08 -0.29 -0.04 3.22 2.80 3hi1J1 SER 274 H -0.07 0.34 0.17 -0.55 8.46 8.34 3hi1J1 SER 274 HA -0.14 0.22 0.65 -0.75 4.49 4.47 3hi1J1 SER 274 HB2 -0.50 0.09 -0.18 -0.04 3.95 3.32 3hi1J1 SER 274 HB3 -1.92 -0.09 -0.23 -0.04 3.93 1.64 3hi1J1 GLU 275 H -1.20 0.22 0.12 -0.55 8.60 7.19 3hi1J1 GLU 275 HA -1.96 0.08 0.53 -0.75 4.29 2.19 3hi1J1 GLU 275 HB2 -2.29 0.00 0.12 -0.04 2.09 -0.11 3hi1J1 GLU 275 HB3 -0.78 -0.00 0.05 -0.04 1.99 1.21 3hi1J1 GLU 275 HG2 -0.43 0.01 0.08 -0.04 2.34 1.96 3hi1J1 GLU 275 HG3 -0.52 -0.03 0.08 -0.04 2.34 1.83 3hi1J1 ASN 276 H -0.59 0.21 -0.28 -0.55 8.53 7.32 3hi1J1 ASN 276 HA -0.27 0.08 0.08 -0.75 4.76 3.89 3hi1J1 ASN 276 HB2 -0.23 0.22 0.10 -0.04 2.88 2.93 3hi1J1 ASN 276 HB3 -0.16 -0.07 0.10 -0.04 2.79 2.62 3hi1J1 ASN 276 HD21 -0.04 0.01 0.04 -0.04 7.03 7.00 3hi1J1 ASN 276 HD22 -0.09 0.04 0.06 -0.04 7.74 7.71 3hi1J1 PHE 277 H 0.05 0.15 0.07 -0.55 8.34 8.06 3hi1J1 PHE 277 HA 0.08 0.23 0.45 -0.75 4.62 4.63 3hi1J1 PHE 277 HB2 -0.15 -0.03 0.04 -0.04 3.15 2.97 3hi1J1 PHE 277 HB3 -0.31 0.09 -0.04 -0.04 3.06 2.77 3hi1J1 PHE 277 HD2 -0.01 0.00 -0.05 -0.04 7.28 7.18 3hi1J1 PHE 277 HE2 0.00 0.02 -0.11 -0.04 7.38 7.24 3hi1J1 PHE 277 HZ 0.01 0.09 -0.23 -0.04 7.32 7.15 3hi1J1 THR 278 H 0.08 -0.04 -0.04 -0.55 8.28 7.72 3hi1J1 THR 278 HA 0.15 0.20 0.62 -0.75 4.39 4.61 3hi1J1 THR 278 HB 0.02 -0.04 -0.02 -0.04 4.32 4.24 3hi1J1 THR 278 HG23 0.04 0.01 0.02 -0.04 1.22 1.25 3hi1J1 ASN 279 H -0.02 -0.05 -0.34 -0.55 8.53 7.57 3hi1J1 ASN 279 HA -0.02 0.08 0.65 -0.75 4.76 4.71 3hi1J1 ASN 279 HB2 -0.07 -0.01 0.06 -0.04 2.88 2.82 3hi1J1 ASN 279 HB3 -0.11 0.05 0.14 -0.04 2.79 2.83 3hi1J1 ASN 279 HD21 -0.06 0.01 -0.01 -0.04 7.03 6.93 3hi1J1 ASN 279 HD22 -0.08 0.03 -0.01 -0.04 7.74 7.64 3hi1J1 ASN 280 H -0.02 0.22 0.11 -0.55 8.53 8.29 3hi1J1 ASN 280 HA -0.00 0.18 0.32 -0.75 4.76 4.50 3hi1J1 ASN 280 HB2 -0.07 0.19 -0.04 -0.04 2.88 2.91 3hi1J1 ASN 280 HB3 -0.04 0.06 -0.03 -0.04 2.79 2.74 3hi1J1 ASN 280 HD21 -0.05 -0.06 -0.03 -0.04 7.03 6.86 3hi1J1 ASN 280 HD22 -0.07 0.04 -0.34 -0.04 7.74 7.32 3hi1J1 ALA 281 H -0.04 -0.07 -0.32 -0.55 8.40 7.42 3hi1J1 ALA 281 HA -0.04 0.09 0.48 -0.75 4.34 4.11 3hi1J1 ALA 281 HB3 -0.05 -0.03 0.02 -0.04 1.41 1.32 3hi1J1 LYS 282 H -0.09 0.14 -0.26 -0.55 8.42 7.65 3hi1J1 LYS 282 HA -0.11 -0.08 0.43 -0.75 4.32 3.81 3hi1J1 LYS 282 HB2 -0.24 0.35 0.13 -0.04 1.87 2.07 3hi1J1 LYS 282 HB3 -0.33 -0.13 0.10 -0.04 1.79 1.38 3hi1J1 LYS 282 HG2 -0.15 -0.07 0.02 -0.04 1.46 1.21 3hi1J1 LYS 282 HG3 -0.28 -0.04 -0.12 -0.04 1.46 0.97 3hi1J1 LYS 282 HD2 -0.28 -0.03 -0.01 -0.04 1.69 1.33 3hi1J1 LYS 282 HD3 -0.14 0.01 -0.05 -0.04 1.68 1.46 3hi1J1 LYS 282 HE2 -0.10 -0.03 -0.05 -0.04 2.99 2.76 3hi1J1 LYS 282 HE3 -0.16 0.03 -0.06 -0.04 2.99 2.76 3hi1J1 THR 283 H -0.05 -0.05 0.19 -0.55 8.28 7.82 3hi1J1 THR 283 HA 0.00 0.24 0.58 -0.75 4.39 4.45 3hi1J1 THR 283 HB 0.05 -0.10 -0.00 -0.04 4.32 4.22 3hi1J1 THR 283 HG23 0.02 0.08 -0.08 -0.04 1.22 1.20 3hi1J1 ILE 284 H 0.06 0.90 0.39 -0.55 8.25 9.05 3hi1J1 ILE 284 HA 0.03 0.32 1.08 -0.75 4.18 4.86 3hi1J1 ILE 284 HB 0.14 -0.08 0.03 -0.04 1.89 1.95 3hi1J1 ILE 284 HG12 0.06 -0.01 -0.20 -0.04 1.49 1.30 3hi1J1 ILE 284 HG13 0.10 0.09 -0.23 -0.04 1.21 1.13 3hi1J1 ILE 284 HG23 0.18 -0.02 -0.27 -0.04 0.93 0.79 3hi1J1 ILE 284 HD13 0.46 -0.01 -0.17 -0.04 0.88 1.12 3hi1J1 ILE 285 H 0.10 0.71 0.31 -0.55 8.25 8.83 3hi1J1 ILE 285 HA 0.02 0.29 1.12 -0.75 4.18 4.86 3hi1J1 ILE 285 HB 0.01 -0.05 0.13 -0.04 1.89 1.94 3hi1J1 ILE 285 HG12 0.02 0.04 -0.08 -0.04 1.49 1.42 3hi1J1 ILE 285 HG13 0.11 -0.05 -0.16 -0.04 1.21 1.08 3hi1J1 ILE 285 HG23 -0.06 0.00 -0.16 -0.04 0.93 0.67 3hi1J1 ILE 285 HD13 -0.03 -0.02 -0.08 -0.04 0.88 0.71 3hi1J1 VAL 286 H 0.00 0.68 0.36 -0.55 8.24 8.74 3hi1J1 VAL 286 HA -0.01 0.20 0.92 -0.75 4.13 4.48 3hi1J1 VAL 286 HB -0.02 -0.20 0.14 -0.04 2.12 2.00 3hi1J1 VAL 286 HG13 -0.07 -0.00 -0.20 -0.04 0.97 0.66 3hi1J1 VAL 286 HG23 -0.02 0.04 -0.16 -0.04 0.95 0.78 3hi1J1 GLN 287 H -0.05 0.86 0.36 -0.55 8.47 9.10 3hi1J1 GLN 287 HA -0.04 0.28 1.08 -0.75 4.36 4.93 3hi1J1 GLN 287 HB2 -0.13 0.01 -0.02 -0.04 2.15 1.97 3hi1J1 GLN 287 HB3 -0.08 -0.10 0.19 -0.04 2.02 1.98 3hi1J1 GLN 287 HG2 -0.03 0.05 -0.06 -0.04 2.40 2.32 3hi1J1 GLN 287 HG3 -0.06 0.08 0.05 -0.04 2.39 2.42 3hi1J1 GLN 287 HE21 0.10 -0.08 -0.23 -0.04 6.97 6.72 3hi1J1 GLN 287 HE22 0.03 0.15 -0.29 -0.04 7.69 7.54 3hi1J1 LEU 288 H -0.02 0.51 0.00 -0.55 8.37 8.31 3hi1J1 LEU 288 HA -0.05 -0.00 0.49 -0.75 4.35 4.04 3hi1J1 LEU 288 HB2 -0.01 0.05 -0.12 -0.04 1.64 1.52 3hi1J1 LEU 288 HB3 -0.03 0.00 -0.03 -0.04 1.64 1.54 3hi1J1 LEU 288 HG -0.02 -0.02 -0.36 -0.04 1.64 1.20 3hi1J1 LEU 288 HD13 0.02 0.05 -0.16 -0.04 0.93 0.79 3hi1J1 LEU 288 HD23 -0.10 -0.01 -0.16 -0.04 0.89 0.58 3hi1J1 ASN 289 H -0.04 0.08 0.09 -0.55 8.53 8.11 3hi1J1 ASN 289 HA -0.01 0.24 0.65 -0.75 4.76 4.88 3hi1J1 ASN 289 HB2 -0.01 0.31 -0.25 -0.04 2.88 2.89 3hi1J1 ASN 289 HB3 -0.02 -0.15 -0.53 -0.04 2.79 2.05 3hi1J1 ASN 289 HD21 -0.02 -0.13 0.04 -0.04 7.03 6.88 3hi1J1 ASN 289 HD22 -0.02 0.82 0.25 -0.04 7.74 8.75 3hi1J1 GLU 290 H -0.02 0.03 -0.09 -0.55 8.60 7.96 3hi1J1 GLU 290 HA -0.01 0.17 0.84 -0.75 4.29 4.54 3hi1J1 GLU 290 HB2 -0.02 0.01 -0.11 -0.04 2.09 1.94 3hi1J1 GLU 290 HB3 -0.02 -0.05 0.07 -0.04 1.99 1.95 3hi1J1 GLU 290 HG2 -0.00 0.11 -0.13 -0.04 2.34 2.27 3hi1J1 GLU 290 HG3 -0.00 -0.00 0.05 -0.04 2.34 2.34 3hi1J1 SER 291 H -0.00 0.12 0.01 -0.55 8.46 8.05 3hi1J1 SER 291 HA 0.01 0.22 0.33 -0.75 4.49 4.29 3hi1J1 SER 291 HB2 0.00 0.06 -0.07 -0.04 3.95 3.90 3hi1J1 SER 291 HB3 0.00 -0.03 0.01 -0.04 3.93 3.87 3hi1J1 VAL 292 H 0.03 0.47 0.27 -0.55 8.24 8.46 3hi1J1 VAL 292 HA 0.04 0.12 0.97 -0.75 4.13 4.51 3hi1J1 VAL 292 HB 0.15 -0.01 0.19 -0.04 2.12 2.41 3hi1J1 VAL 292 HG13 0.15 0.02 -0.06 -0.04 0.97 1.04 3hi1J1 VAL 292 HG23 0.12 0.03 -0.10 -0.04 0.95 0.96 3hi1J1 VAL 293 H 0.01 0.10 0.14 -0.55 8.24 7.94 3hi1J1 VAL 293 HA -0.03 0.22 0.54 -0.75 4.13 4.11 3hi1J1 VAL 293 HB -0.01 -0.06 0.02 -0.04 2.12 2.03 3hi1J1 VAL 293 HG13 -0.02 -0.01 -0.05 -0.04 0.97 0.86 3hi1J1 VAL 293 HG23 -0.00 0.01 0.01 -0.04 0.95 0.92 3hi1J1 ILE 294 H -0.06 0.39 0.26 -0.55 8.25 8.29 3hi1J1 ILE 294 HA -0.06 0.25 0.82 -0.75 4.18 4.44 3hi1J1 ILE 294 HB -0.14 0.07 -0.09 -0.04 1.89 1.69 3hi1J1 ILE 294 HG12 -0.09 -0.08 -0.35 -0.04 1.49 0.92 3hi1J1 ILE 294 HG13 -0.09 0.15 -0.09 -0.04 1.21 1.13 3hi1J1 ILE 294 HG23 -0.14 -0.00 -0.00 -0.04 0.93 0.74 3hi1J1 ILE 294 HD13 -0.17 -0.01 -0.14 -0.04 0.88 0.52 3hi1J1 ASN 295 H -0.02 0.34 0.22 -0.55 8.53 8.53 3hi1J1 ASN 295 HA -0.03 0.04 0.93 -0.75 4.76 4.94 3hi1J1 ASN 295 HB2 0.02 -0.02 0.14 -0.04 2.88 2.99 3hi1J1 ASN 295 HB3 0.01 0.04 0.00 -0.04 2.79 2.81 3hi1J1 ASN 295 HD21 0.00 0.02 -0.04 -0.04 7.03 6.97 3hi1J1 ASN 295 HD22 0.01 0.01 -0.02 -0.04 7.74 7.70 3hi1J1 CYS 296 H -0.04 0.10 0.20 -0.55 8.50 8.21 3hi1J1 CYS 296 HA 0.03 0.31 1.15 -0.75 4.58 5.31 3hi1J1 CYS 296 HB2 -0.10 -0.12 -0.06 -0.04 2.97 2.65 3hi1J1 CYS 296 HB3 0.07 0.12 -0.02 -0.04 2.97 3.10 3hi1J1 THR 297 H -0.06 0.51 0.30 -0.55 8.28 8.49 3hi1J1 THR 297 HA 0.04 0.15 0.97 -0.75 4.39 4.79 3hi1J1 THR 297 HB -0.05 0.11 0.03 -0.04 4.32 4.38 3hi1J1 THR 297 HG23 -0.00 -0.01 -0.20 -0.04 1.22 0.97 3hi1J1 ARG 298 H 0.05 0.19 0.20 -0.55 8.46 8.34 3hi1J1 ARG 298 HA 0.01 0.17 0.94 -0.75 4.34 4.71 3hi1J1 ARG 298 HB2 0.03 0.09 -0.06 -0.04 1.90 1.92 3hi1J1 ARG 298 HB3 0.02 0.04 0.11 -0.04 1.80 1.93 3hi1J1 ARG 298 HG2 0.27 0.03 -0.09 -0.04 1.67 1.84 3hi1J1 ARG 298 HG3 0.11 -0.13 0.11 -0.04 1.67 1.73 3hi1J1 ARG 298 HD2 0.06 -0.02 0.02 -0.04 3.22 3.23 3hi1J1 ARG 298 HD3 0.08 0.04 0.02 -0.04 3.22 3.32 3hi1J1 PRO 299 HA 0.01 0.10 0.74 -0.51 4.44 4.78 3hi1J1 PRO 299 HB2 0.00 0.06 -0.00 -0.04 2.28 2.30 3hi1J1 PRO 299 HB3 0.01 0.04 0.18 -0.04 2.02 2.20 3hi1J1 PRO 299 HG2 -0.02 0.02 0.11 -0.04 2.03 2.10 3hi1J1 PRO 299 HG3 -0.03 0.10 0.03 -0.04 2.03 2.10 3hi1J1 PRO 299 HD2 -0.05 0.11 0.26 -0.04 3.68 3.96 3hi1J1 PRO 299 HD3 -0.04 0.13 0.15 -0.04 3.65 3.84 3hi1J1 ASN 300 H 0.02 0.16 0.10 -0.55 8.53 8.27 3hi1J1 ASN 300 HA 0.02 0.07 0.54 -0.75 4.76 4.63 3hi1J1 ASN 300 HB2 0.02 -0.01 0.19 -0.04 2.88 3.04 3hi1J1 ASN 300 HB3 0.02 0.03 0.13 -0.04 2.79 2.92 3hi1J1 ASN 300 HD21 0.02 -0.00 0.00 -0.04 7.03 7.00 3hi1J1 ASN 300 HD22 0.02 0.00 0.01 -0.04 7.74 7.73 3hi1J1 ASN 301 H 0.01 0.32 0.15 -0.55 8.53 8.47 3hi1J1 ASN 301 HA 0.01 0.17 0.44 -0.75 4.76 4.62 3hi1J1 ASN 301 HB2 0.01 0.06 -0.01 -0.04 2.88 2.90 3hi1J1 ASN 301 HB3 0.01 0.03 0.08 -0.04 2.79 2.87 3hi1J1 ASN 301 HD21 0.00 -0.02 -0.01 -0.04 7.03 6.96 3hi1J1 ASN 301 HD22 -0.00 0.00 -0.05 -0.04 7.74 7.66 3hi1J1 ARG 327 HA 0.06 -0.07 0.18 -0.75 4.34 3.75 3hi1J1 ARG 327 HB2 0.06 -0.02 0.02 -0.04 1.90 1.92 3hi1J1 ARG 327 HB3 0.01 -0.04 -0.10 -0.04 1.80 1.64 3hi1J1 ARG 327 HG2 -0.06 -0.00 -0.02 -0.04 1.67 1.55 3hi1J1 ARG 327 HG3 -0.00 0.01 0.02 -0.04 1.67 1.65 3hi1J1 ARG 327 HD2 -0.07 -0.01 -0.04 -0.04 3.22 3.05 3hi1J1 ARG 327 HD3 -0.03 0.00 -0.02 -0.04 3.22 3.14 3hi1J1 GLN 328 H 0.12 0.22 0.01 -0.55 8.47 8.28 3hi1J1 GLN 328 HA 0.09 0.03 0.55 -0.75 4.36 4.27 3hi1J1 GLN 328 HB2 0.02 -0.05 0.08 -0.04 2.15 2.16 3hi1J1 GLN 328 HB3 0.04 0.13 0.08 -0.04 2.02 2.23 3hi1J1 GLN 328 HG2 0.03 0.03 0.11 -0.04 2.40 2.52 3hi1J1 GLN 328 HG3 0.02 -0.01 -0.07 -0.04 2.39 2.28 3hi1J1 GLN 328 HE21 0.03 0.04 -0.02 -0.04 6.97 6.98 3hi1J1 GLN 328 HE22 0.03 -0.00 0.03 -0.04 7.69 7.71 3hi1J1 ALA 329 H -0.02 0.09 -0.05 -0.55 8.40 7.87 3hi1J1 ALA 329 HA -0.04 0.31 0.57 -0.75 4.34 4.42 3hi1J1 ALA 329 HB3 -0.09 0.06 0.20 -0.04 1.41 1.53 3hi1J1 HIS 330 H -0.37 0.09 0.13 -0.55 8.41 7.71 3hi1J1 HIS 330 HA 0.13 0.23 0.92 -0.75 4.63 5.15 3hi1J1 HIS 330 HB2 0.06 0.07 0.12 -0.04 3.26 3.46 3hi1J1 HIS 330 HB3 0.05 -0.02 -0.25 -0.04 3.20 2.94 3hi1J1 HIS 330 HD2 0.04 -0.06 -0.32 -0.04 6.97 6.58 3hi1J1 HIS 330 HE1 0.03 -0.02 -0.16 -0.04 7.75 7.57 3hi1J1 CYS 331 H 0.26 0.32 0.29 -0.55 8.50 8.82 3hi1J1 CYS 331 HA 0.18 0.28 0.92 -0.75 4.58 5.20 3hi1J1 CYS 331 HB2 0.12 -0.06 -0.00 -0.04 2.97 2.98 3hi1J1 CYS 331 HB3 0.05 0.05 -0.12 -0.04 2.97 2.91 3hi1J1 ASN 332 H 0.10 0.58 0.34 -0.55 8.53 9.00 3hi1J1 ASN 332 HA -0.00 0.48 1.22 -0.75 4.76 5.70 3hi1J1 ASN 332 HB2 0.07 -0.00 0.11 -0.04 2.88 3.02 3hi1J1 ASN 332 HB3 0.01 -0.04 0.02 -0.04 2.79 2.75 3hi1J1 ASN 332 HD21 -0.05 0.01 -0.09 -0.04 7.03 6.86 3hi1J1 ASN 332 HD22 -0.00 -0.01 -0.04 -0.04 7.74 7.65 3hi1J1 LEU 333 H -0.04 0.18 0.30 -0.55 8.37 8.27 3hi1J1 LEU 333 HA -0.05 0.19 0.86 -0.75 4.35 4.60 3hi1J1 LEU 333 HB2 -0.18 0.07 -0.39 -0.04 1.64 1.10 3hi1J1 LEU 333 HB3 -0.17 -0.06 -0.04 -0.04 1.64 1.33 3hi1J1 LEU 333 HG -0.08 -0.01 -0.11 -0.04 1.64 1.40 3hi1J1 LEU 333 HD13 -0.20 0.09 0.02 -0.04 0.93 0.80 3hi1J1 LEU 333 HD23 -0.71 -0.01 -0.13 -0.04 0.89 -0.00 3hi1J1 SER 334 H 0.00 0.25 0.14 -0.55 8.46 8.31 3hi1J1 SER 334 HA 0.02 0.26 0.52 -0.75 4.49 4.54 3hi1J1 SER 334 HB2 0.02 0.08 0.14 -0.04 3.95 4.15 3hi1J1 SER 334 HB3 0.05 0.00 0.19 -0.04 3.93 4.13 3hi1J1 LYS 335 H 0.04 0.18 -0.20 -0.55 8.42 7.88 3hi1J1 LYS 335 HA 0.11 0.14 0.21 -0.75 4.32 4.02 3hi1J1 LYS 335 HB2 0.04 0.04 -0.02 -0.04 1.87 1.89 3hi1J1 LYS 335 HB3 0.05 -0.10 0.23 -0.04 1.79 1.93 3hi1J1 LYS 335 HG2 0.09 -0.01 -0.28 -0.04 1.46 1.22 3hi1J1 LYS 335 HG3 0.10 0.06 -0.07 -0.04 1.46 1.50 3hi1J1 LYS 335 HD2 0.04 -0.01 0.10 -0.04 1.69 1.77 3hi1J1 LYS 335 HD3 0.05 0.04 -0.02 -0.04 1.68 1.72 3hi1J1 LYS 335 HE2 0.03 0.01 -0.01 -0.04 2.99 2.98 3hi1J1 LYS 335 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 3hi1J1 THR 336 H 0.06 0.17 0.08 -0.55 8.28 8.04 3hi1J1 THR 336 HA 0.08 0.07 0.34 -0.75 4.39 4.13 3hi1J1 THR 336 HB 0.04 0.05 0.11 -0.04 4.32 4.48 3hi1J1 THR 336 HG23 0.04 0.01 0.14 -0.04 1.22 1.37 3hi1J1 GLN 337 H 0.08 0.03 -0.71 -0.55 8.47 7.33 3hi1J1 GLN 337 HA 0.04 0.10 0.57 -0.75 4.36 4.31 3hi1J1 GLN 337 HB2 0.05 -0.03 0.03 -0.04 2.15 2.16 3hi1J1 GLN 337 HB3 0.09 0.12 0.06 -0.04 2.02 2.24 3hi1J1 GLN 337 HG2 0.09 0.04 -0.20 -0.04 2.40 2.28 3hi1J1 GLN 337 HG3 0.04 0.01 0.04 -0.04 2.39 2.43 3hi1J1 GLN 337 HE21 0.03 -0.01 0.06 -0.04 6.97 7.00 3hi1J1 GLN 337 HE22 0.03 -0.03 0.04 -0.04 7.69 7.69 3hi1J1 TRP 338 H 0.25 0.50 0.04 -0.55 7.97 8.21 3hi1J1 TRP 338 HA -0.06 0.05 0.54 -0.75 4.62 4.40 3hi1J1 TRP 338 HB2 -0.06 0.01 0.06 -0.04 3.23 3.19 3hi1J1 TRP 338 HB3 -0.04 0.05 0.17 -0.04 3.23 3.38 3hi1J1 TRP 338 HD1 -0.05 -0.01 -0.13 -0.04 7.22 7.00 3hi1J1 TRP 338 HE1 -0.26 0.28 0.05 -0.04 10.20 10.24 3hi1J1 TRP 338 HE3 -0.10 -0.01 0.00 -0.04 7.59 7.43 3hi1J1 TRP 338 HZ2 -0.51 0.13 -0.03 -0.04 7.44 6.98 3hi1J1 TRP 338 HZ3 -0.12 0.00 -0.05 -0.04 7.13 6.93 3hi1J1 TRP 338 HH2 -0.14 0.02 -0.07 -0.04 7.19 6.96 3hi1J1 GLU 339 H 0.19 0.62 0.07 -0.55 8.60 8.94 3hi1J1 GLU 339 HA 0.02 0.05 0.38 -0.75 4.29 3.99 3hi1J1 GLU 339 HB2 0.11 0.01 0.03 -0.04 2.09 2.20 3hi1J1 GLU 339 HB3 0.21 0.01 0.01 -0.04 1.99 2.18 3hi1J1 GLU 339 HG2 0.25 0.03 -0.02 -0.04 2.34 2.56 3hi1J1 GLU 339 HG3 0.17 0.10 -0.19 -0.04 2.34 2.39 3hi1J1 ASN 340 H 0.02 0.33 -0.46 -0.55 8.53 7.87 3hi1J1 ASN 340 HA 0.00 -0.02 0.41 -0.75 4.76 4.39 3hi1J1 ASN 340 HB2 0.01 0.22 0.23 -0.04 2.88 3.30 3hi1J1 ASN 340 HB3 -0.02 0.26 0.14 -0.04 2.79 3.13 3hi1J1 ASN 340 HD21 -0.03 -0.05 -0.05 -0.04 7.03 6.86 3hi1J1 ASN 340 HD22 -0.04 0.09 -0.13 -0.04 7.74 7.61 3hi1J1 THR 341 H -0.21 0.39 -0.29 -0.55 8.28 7.62 3hi1J1 THR 341 HA -0.21 -0.03 0.37 -0.75 4.39 3.77 3hi1J1 THR 341 HB -0.78 0.06 0.13 -0.04 4.32 3.68 3hi1J1 THR 341 HG23 -0.25 -0.03 -0.04 -0.04 1.22 0.86 3hi1J1 LEU 342 H -0.73 0.58 -0.02 -0.55 8.37 7.66 3hi1J1 LEU 342 HA -0.70 -0.01 0.33 -0.75 4.35 3.23 3hi1J1 LEU 342 HB2 -0.62 0.13 0.14 -0.04 1.64 1.25 3hi1J1 LEU 342 HB3 -1.03 -0.05 -0.05 -0.04 1.64 0.47 3hi1J1 LEU 342 HG -1.48 0.06 0.00 -0.04 1.64 0.18 3hi1J1 LEU 342 HD13 -0.07 0.04 -0.05 -0.04 0.93 0.80 3hi1J1 LEU 342 HD23 -1.07 -0.01 -0.03 -0.04 0.89 -0.27 3hi1J1 GLU 343 H -0.27 0.56 -0.23 -0.55 8.60 8.12 3hi1J1 GLU 343 HA -0.34 -0.01 0.43 -0.75 4.29 3.62 3hi1J1 GLU 343 HB2 -0.01 0.19 0.16 -0.04 2.09 2.38 3hi1J1 GLU 343 HB3 0.09 -0.07 0.02 -0.04 1.99 1.98 3hi1J1 GLU 343 HG2 0.76 -0.05 0.01 -0.04 2.34 3.02 3hi1J1 GLU 343 HG3 0.30 0.28 0.07 -0.04 2.34 2.94 3hi1J1 GLN 344 H -0.17 0.55 -0.09 -0.55 8.47 8.22 3hi1J1 GLN 344 HA -0.08 -0.03 0.41 -0.75 4.36 3.90 3hi1J1 GLN 344 HB2 -0.15 0.19 0.22 -0.04 2.15 2.37 3hi1J1 GLN 344 HB3 -0.10 -0.12 0.04 -0.04 2.02 1.80 3hi1J1 GLN 344 HG2 -0.08 0.23 0.08 -0.04 2.40 2.59 3hi1J1 GLN 344 HG3 -0.07 -0.06 0.03 -0.04 2.39 2.25 3hi1J1 GLN 344 HE21 -0.02 -0.03 -0.02 -0.04 6.97 6.86 3hi1J1 GLN 344 HE22 -0.03 0.06 -0.00 -0.04 7.69 7.68 3hi1J1 ILE 345 H -0.25 0.57 -0.24 -0.55 8.25 7.78 3hi1J1 ILE 345 HA -0.13 -0.01 0.43 -0.75 4.18 3.71 3hi1J1 ILE 345 HB -0.23 0.15 0.10 -0.04 1.89 1.86 3hi1J1 ILE 345 HG12 -0.19 -0.09 -0.10 -0.04 1.49 1.07 3hi1J1 ILE 345 HG13 -0.31 0.33 -0.09 -0.04 1.21 1.10 3hi1J1 ILE 345 HG23 -0.12 -0.02 -0.22 -0.04 0.93 0.52 3hi1J1 ILE 345 HD13 -0.33 -0.02 -0.16 -0.04 0.88 0.33 3hi1J1 ALA 346 H -0.26 0.77 0.01 -0.55 8.40 8.37 3hi1J1 ALA 346 HA -0.22 -0.02 0.29 -0.75 4.34 3.63 3hi1J1 ALA 346 HB3 -0.36 0.04 0.09 -0.04 1.41 1.13 3hi1J1 ILE 347 H -0.11 0.54 -0.33 -0.55 8.25 7.81 3hi1J1 ILE 347 HA -0.03 -0.01 0.41 -0.75 4.18 3.81 3hi1J1 ILE 347 HB -0.06 0.23 0.14 -0.04 1.89 2.16 3hi1J1 ILE 347 HG12 -0.01 -0.07 0.03 -0.04 1.49 1.40 3hi1J1 ILE 347 HG13 -0.04 0.27 0.09 -0.04 1.21 1.49 3hi1J1 ILE 347 HG23 -0.03 -0.03 -0.08 -0.04 0.93 0.75 3hi1J1 ILE 347 HD13 -0.02 -0.04 -0.03 -0.04 0.88 0.74 3hi1J1 LYS 348 H -0.08 0.45 -0.11 -0.55 8.42 8.13 3hi1J1 LYS 348 HA -0.06 -0.02 0.36 -0.75 4.32 3.84 3hi1J1 LYS 348 HB2 -0.07 0.13 0.07 -0.04 1.87 1.96 3hi1J1 LYS 348 HB3 -0.06 -0.06 0.01 -0.04 1.79 1.64 3hi1J1 LYS 348 HG2 -0.07 0.19 0.13 -0.04 1.46 1.67 3hi1J1 LYS 348 HG3 -0.06 -0.07 -0.05 -0.04 1.46 1.24 3hi1J1 LYS 348 HD2 -0.05 0.05 0.05 -0.04 1.69 1.69 3hi1J1 LYS 348 HD3 -0.05 -0.07 0.00 -0.04 1.68 1.52 3hi1J1 LYS 348 HE2 -0.05 -0.03 0.03 -0.04 2.99 2.90 3hi1J1 LYS 348 HE3 -0.05 -0.00 0.06 -0.04 2.99 2.96 3hi1J1 LEU 349 H -0.06 0.42 -0.57 -0.55 8.37 7.61 3hi1J1 LEU 349 HA 0.08 0.07 0.60 -0.75 4.35 4.34 3hi1J1 LEU 349 HB2 -0.09 0.16 0.04 -0.04 1.64 1.70 3hi1J1 LEU 349 HB3 0.08 -0.03 -0.11 -0.04 1.64 1.53 3hi1J1 LEU 349 HG -0.13 0.07 -0.22 -0.04 1.64 1.32 3hi1J1 LEU 349 HD13 -0.59 -0.02 -0.24 -0.04 0.93 0.04 3hi1J1 LEU 349 HD23 -0.07 -0.01 -0.17 -0.04 0.89 0.61 3hi1J1 LYS 350 H 0.00 0.63 0.06 -0.55 8.42 8.56 3hi1J1 LYS 350 HA 0.09 0.11 0.22 -0.75 4.32 3.98 3hi1J1 LYS 350 HB2 0.00 0.11 0.19 -0.04 1.87 2.13 3hi1J1 LYS 350 HB3 0.02 -0.15 0.04 -0.04 1.79 1.66 3hi1J1 LYS 350 HG2 0.04 0.02 -0.03 -0.04 1.46 1.45 3hi1J1 LYS 350 HG3 0.01 0.16 -0.01 -0.04 1.46 1.57 3hi1J1 LYS 350 HD2 0.03 -0.08 0.03 -0.04 1.69 1.63 3hi1J1 LYS 350 HD3 0.03 0.14 0.08 -0.04 1.68 1.89 3hi1J1 LYS 350 HE2 0.06 -0.01 0.08 -0.04 2.99 3.07 3hi1J1 LYS 350 HE3 0.07 -0.09 -0.03 -0.04 2.99 2.90 3hi1J1 GLU 351 H -0.02 0.61 -0.19 -0.55 8.60 8.45 3hi1J1 GLU 351 HA -0.04 -0.05 0.40 -0.75 4.29 3.84 3hi1J1 GLU 351 HB2 -0.08 0.17 0.03 -0.04 2.09 2.17 3hi1J1 GLU 351 HB3 -0.08 -0.04 -0.03 -0.04 1.99 1.80 3hi1J1 GLU 351 HG2 -0.04 -0.08 0.02 -0.04 2.34 2.21 3hi1J1 GLU 351 HG3 -0.04 0.19 0.00 -0.04 2.34 2.45 3hi1J1 GLN 352 H -0.09 0.21 -0.57 -0.55 8.47 7.48 3hi1J1 GLN 352 HA -0.35 0.03 0.40 -0.75 4.36 3.68 3hi1J1 GLN 352 HB2 -0.38 0.09 0.12 -0.04 2.15 1.93 3hi1J1 GLN 352 HB3 -0.38 0.07 0.10 -0.04 2.02 1.77 3hi1J1 GLN 352 HG2 -1.34 -0.04 -0.06 -0.04 2.40 0.92 3hi1J1 GLN 352 HG3 -1.31 -0.02 -0.08 -0.04 2.39 0.94 3hi1J1 GLN 352 HE21 -0.58 -0.02 0.03 -0.04 6.97 6.35 3hi1J1 GLN 352 HE22 -0.87 -0.06 0.02 -0.04 7.69 6.74 3hi1J1 PHE 353 H 0.08 0.52 -0.23 -0.55 8.34 8.16 3hi1J1 PHE 353 HA -0.02 0.14 0.86 -0.75 4.62 4.84 3hi1J1 PHE 353 HB2 0.04 0.07 -0.05 -0.04 3.15 3.17 3hi1J1 PHE 353 HB3 0.03 -0.06 0.12 -0.04 3.06 3.11 3hi1J1 PHE 353 HD2 0.05 0.06 -0.06 -0.04 7.28 7.30 3hi1J1 PHE 353 HE2 0.18 0.12 -0.07 -0.04 7.38 7.56 3hi1J1 PHE 353 HZ 0.37 -0.01 -0.07 -0.04 7.32 7.57 3hi1J1 GLY 354 H -0.00 0.22 -0.35 -0.55 8.43 7.75 3hi1J1 GLY 354 HA2 0.01 -0.06 0.40 -0.51 4.01 3.85 3hi1J1 GLY 354 HA3 0.04 0.04 0.63 -0.51 4.01 4.21 3hi1J1 ASN 355 H 0.01 0.09 0.08 -0.55 8.53 8.16 3hi1J1 ASN 355 HA 0.04 0.11 0.36 -0.75 4.76 4.51 3hi1J1 ASN 355 HB2 0.01 0.01 0.15 -0.04 2.88 3.01 3hi1J1 ASN 355 HB3 0.01 -0.02 -0.16 -0.04 2.79 2.58 3hi1J1 ASN 355 HD21 -0.00 -0.02 -0.01 -0.04 7.03 6.95 3hi1J1 ASN 355 HD22 -0.00 0.00 -0.02 -0.04 7.74 7.68 3hi1J1 ASN 356 H 0.03 0.12 -0.76 -0.55 8.53 7.37 3hi1J1 ASN 356 HA 0.02 0.12 0.71 -0.75 4.76 4.85 3hi1J1 ASN 356 HB2 0.01 -0.03 0.14 -0.04 2.88 2.97 3hi1J1 ASN 356 HB3 0.01 -0.06 0.02 -0.04 2.79 2.72 3hi1J1 ASN 356 HD21 0.02 -0.01 -0.04 -0.04 7.03 6.96 3hi1J1 ASN 356 HD22 0.01 -0.04 -0.01 -0.04 7.74 7.66 3hi1J1 LYS 357 H 0.04 0.16 -0.24 -0.55 8.42 7.83 3hi1J1 LYS 357 HA 0.02 0.09 0.89 -0.75 4.32 4.57 3hi1J1 LYS 357 HB2 0.06 -0.01 0.01 -0.04 1.87 1.89 3hi1J1 LYS 357 HB3 0.02 0.19 0.09 -0.04 1.79 2.05 3hi1J1 LYS 357 HG2 0.03 -0.19 0.03 -0.04 1.46 1.28 3hi1J1 LYS 357 HG3 0.05 0.00 0.01 -0.04 1.46 1.49 3hi1J1 LYS 357 HD2 0.11 0.21 0.04 -0.04 1.69 2.01 3hi1J1 LYS 357 HD3 0.01 -0.08 -0.16 -0.04 1.68 1.41 3hi1J1 LYS 357 HE2 0.06 -0.01 0.07 -0.04 2.99 3.07 3hi1J1 LYS 357 HE3 0.08 -0.02 0.03 -0.04 2.99 3.04 3hi1J1 THR 358 H 0.02 0.38 0.21 -0.55 8.28 8.34 3hi1J1 THR 358 HA 0.05 0.14 0.91 -0.75 4.39 4.74 3hi1J1 THR 358 HB 0.02 -0.06 0.06 -0.04 4.32 4.30 3hi1J1 THR 358 HG23 0.04 0.02 -0.05 -0.04 1.22 1.19 3hi1J1 ILE 359 H 0.11 0.14 0.14 -0.55 8.25 8.09 3hi1J1 ILE 359 HA 0.03 0.25 0.90 -0.75 4.18 4.61 3hi1J1 ILE 359 HB -0.03 -0.04 0.10 -0.04 1.89 1.87 3hi1J1 ILE 359 HG12 -0.16 -0.03 -0.06 -0.04 1.49 1.20 3hi1J1 ILE 359 HG13 0.10 0.06 -0.08 -0.04 1.21 1.26 3hi1J1 ILE 359 HG23 -0.55 -0.01 -0.26 -0.04 0.93 0.07 3hi1J1 ILE 359 HD13 0.04 -0.01 -0.35 -0.04 0.88 0.53 3hi1J1 ILE 360 H -0.02 0.68 0.38 -0.55 8.25 8.74 3hi1J1 ILE 360 HA 0.18 0.19 0.87 -0.75 4.18 4.67 3hi1J1 ILE 360 HB 0.03 -0.04 0.01 -0.04 1.89 1.85 3hi1J1 ILE 360 HG12 0.05 -0.06 -0.55 -0.04 1.49 0.89 3hi1J1 ILE 360 HG13 0.03 -0.06 -0.12 -0.04 1.21 1.03 3hi1J1 ILE 360 HG23 0.11 0.03 -0.10 -0.04 0.93 0.93 3hi1J1 ILE 360 HD13 0.08 0.07 0.08 -0.04 0.88 1.06 3hi1J1 PHE 361 H 0.34 0.17 0.18 -0.55 8.34 8.49 3hi1J1 PHE 361 HA 0.23 0.22 1.13 -0.75 4.62 5.45 3hi1J1 PHE 361 HB2 0.32 -0.15 0.01 -0.04 3.15 3.29 3hi1J1 PHE 361 HB3 0.33 0.11 -0.05 -0.04 3.06 3.41 3hi1J1 PHE 361 HD2 0.08 0.02 -0.08 -0.04 7.28 7.26 3hi1J1 PHE 361 HE2 -0.61 0.01 -0.14 -0.04 7.38 6.59 3hi1J1 PHE 361 HZ -0.41 -0.03 -0.14 -0.04 7.32 6.69 3hi1J1 ASN 362 H 0.28 0.71 0.40 -0.55 8.53 9.37 3hi1J1 ASN 362 HA 0.21 0.22 1.09 -0.75 4.76 5.53 3hi1J1 ASN 362 HB2 0.10 -0.07 0.05 -0.04 2.88 2.92 3hi1J1 ASN 362 HB3 0.09 0.10 0.05 -0.04 2.79 2.99 3hi1J1 ASN 362 HD21 0.05 -0.06 -0.03 -0.04 7.03 6.95 3hi1J1 ASN 362 HD22 0.05 0.00 -0.02 -0.04 7.74 7.73 3hi1J1 PRO 363 HA 0.17 0.02 0.57 -0.51 4.44 4.69 3hi1J1 PRO 363 HB2 0.10 0.07 -0.02 -0.04 2.28 2.38 3hi1J1 PRO 363 HB3 0.17 -0.08 0.11 -0.04 2.02 2.17 3hi1J1 PRO 363 HG2 0.12 -0.05 0.10 -0.04 2.03 2.16 3hi1J1 PRO 363 HG3 0.20 0.10 0.11 -0.04 2.03 2.40 3hi1J1 PRO 363 HD2 0.12 -0.01 0.24 -0.04 3.68 3.98 3hi1J1 PRO 363 HD3 0.19 0.30 0.35 -0.04 3.65 4.46 3hi1J1 SER 364 H 0.00 0.10 0.20 -0.55 8.46 8.22 3hi1J1 SER 364 HA -0.02 -0.01 0.53 -0.75 4.49 4.24 3hi1J1 SER 364 HB2 -0.07 -0.06 0.18 -0.04 3.95 3.96 3hi1J1 SER 364 HB3 0.00 0.10 0.20 -0.04 3.93 4.19 3hi1J1 SER 365 H 0.00 0.05 0.11 -0.55 8.46 8.07 3hi1J1 SER 365 HA 0.02 0.14 0.61 -0.75 4.49 4.51 3hi1J1 SER 365 HB2 0.00 -0.22 0.21 -0.04 3.95 3.90 3hi1J1 SER 365 HB3 0.01 0.04 0.08 -0.04 3.93 4.02 3hi1J1 GLY 366 H 0.01 0.03 0.10 -0.55 8.43 8.02 3hi1J1 GLY 366 HA2 0.01 0.04 0.28 -0.51 4.01 3.83 3hi1J1 GLY 366 HA3 0.01 -0.02 0.30 -0.51 4.01 3.79 3hi1J1 GLY 367 H 0.01 0.25 0.19 -0.55 8.43 8.33 3hi1J1 GLY 367 HA2 0.00 -0.02 0.27 -0.51 4.01 3.76 3hi1J1 GLY 367 HA3 0.01 0.16 0.50 -0.51 4.01 4.16 3hi1J1 ASP 368 H 0.01 0.11 0.11 -0.55 8.40 8.08 3hi1J1 ASP 368 HA 0.01 0.16 0.53 -0.75 4.63 4.58 3hi1J1 ASP 368 HB2 0.01 -0.00 0.13 -0.04 2.71 2.80 3hi1J1 ASP 368 HB3 0.02 -0.08 0.02 -0.04 2.70 2.62 3hi1J1 PRO 369 HA 0.05 0.13 0.31 -0.51 4.44 4.42 3hi1J1 PRO 369 HB2 0.09 0.02 0.03 -0.04 2.28 2.38 3hi1J1 PRO 369 HB3 -0.05 0.07 0.05 -0.04 2.02 2.05 3hi1J1 PRO 369 HG2 -0.03 0.07 0.08 -0.04 2.03 2.10 3hi1J1 PRO 369 HG3 -0.03 0.09 0.10 -0.04 2.03 2.15 3hi1J1 PRO 369 HD2 0.03 0.06 0.19 -0.04 3.68 3.92 3hi1J1 PRO 369 HD3 0.01 0.17 0.25 -0.04 3.65 4.03 3hi1J1 GLU 370 H 0.15 0.10 -0.15 -0.55 8.60 8.15 3hi1J1 GLU 370 HA 0.07 0.08 0.25 -0.75 4.29 3.94 3hi1J1 GLU 370 HB2 -0.00 -0.04 -0.06 -0.04 2.09 1.95 3hi1J1 GLU 370 HB3 -0.10 0.04 -0.06 -0.04 1.99 1.83 3hi1J1 GLU 370 HG2 -0.06 0.04 -0.06 -0.04 2.34 2.22 3hi1J1 GLU 370 HG3 0.28 0.04 -0.05 -0.04 2.34 2.57 3hi1J1 ILE 371 H 0.03 -0.02 -0.47 -0.55 8.25 7.24 3hi1J1 ILE 371 HA 0.00 0.04 0.43 -0.75 4.18 3.90 3hi1J1 ILE 371 HB 0.01 -0.01 0.04 -0.04 1.89 1.89 3hi1J1 ILE 371 HG12 -0.01 -0.12 -0.03 -0.04 1.49 1.28 3hi1J1 ILE 371 HG13 -0.01 -0.03 0.01 -0.04 1.21 1.14 3hi1J1 ILE 371 HG23 -0.00 0.01 -0.20 -0.04 0.93 0.70 3hi1J1 ILE 371 HD13 -0.02 0.01 -0.04 -0.04 0.88 0.79 3hi1J1 VAL 372 H 0.05 0.37 -0.21 -0.55 8.24 7.90 3hi1J1 VAL 372 HA 0.03 0.05 0.34 -0.75 4.13 3.79 3hi1J1 VAL 372 HB 0.06 -0.02 0.03 -0.04 2.12 2.15 3hi1J1 VAL 372 HG13 0.05 -0.01 -0.21 -0.04 0.97 0.76 3hi1J1 VAL 372 HG23 0.03 0.08 -0.23 -0.04 0.95 0.79 3hi1J1 THR 373 H 0.11 0.54 -0.04 -0.55 8.28 8.34 3hi1J1 THR 373 HA 0.14 0.02 0.60 -0.75 4.39 4.40 3hi1J1 THR 373 HB 0.17 -0.09 -0.14 -0.04 4.32 4.22 3hi1J1 THR 373 HG23 0.16 0.03 -0.11 -0.04 1.22 1.25 3hi1J1 HIS 374 H 0.25 0.51 0.25 -0.55 8.41 8.87 3hi1J1 HIS 374 HA 0.09 0.19 0.80 -0.75 4.63 4.96 3hi1J1 HIS 374 HB2 0.16 0.01 0.13 -0.04 3.26 3.52 3hi1J1 HIS 374 HB3 0.14 -0.03 0.21 -0.04 3.20 3.48 3hi1J1 HIS 374 HD2 0.25 -0.08 -0.12 -0.04 6.97 6.98 3hi1J1 HIS 374 HE1 0.01 0.10 0.02 -0.04 7.75 7.84 3hi1J1 SER 375 H -0.14 0.26 0.09 -0.55 8.46 8.13 3hi1J1 SER 375 HA -0.34 0.35 0.98 -0.75 4.49 4.73 3hi1J1 SER 375 HB2 -0.67 0.00 0.08 -0.04 3.95 3.32 3hi1J1 SER 375 HB3 -0.62 -0.11 0.02 -0.04 3.93 3.18 3hi1J1 PHE 376 H -0.41 0.47 0.32 -0.55 8.34 8.16 3hi1J1 PHE 376 HA -0.02 0.06 0.49 -0.75 4.62 4.39 3hi1J1 PHE 376 HB2 -0.06 0.12 0.22 -0.04 3.15 3.38 3hi1J1 PHE 376 HB3 -0.24 0.12 -0.00 -0.04 3.06 2.90 3hi1J1 PHE 376 HD2 -0.32 0.22 -0.40 -0.04 7.28 6.74 3hi1J1 PHE 376 HE2 -0.30 -0.02 -0.17 -0.04 7.38 6.85 3hi1J1 PHE 376 HZ -0.67 -0.05 -0.15 -0.04 7.32 6.41 3hi1J1 ASN 377 H 0.25 0.47 0.28 -0.55 8.53 8.99 3hi1J1 ASN 377 HA -0.28 0.11 0.61 -0.75 4.76 4.44 3hi1J1 ASN 377 HB2 0.27 -0.02 0.08 -0.04 2.88 3.17 3hi1J1 ASN 377 HB3 0.11 -0.02 0.19 -0.04 2.79 3.03 3hi1J1 ASN 377 HD21 -0.07 0.45 0.04 -0.04 7.03 7.41 3hi1J1 ASN 377 HD22 -0.17 -0.03 -0.05 -0.04 7.74 7.45 3hi1J1 CYS 378 H -0.19 0.43 0.20 -0.55 8.50 8.40 3hi1J1 CYS 378 HA 0.01 0.10 0.39 -0.75 4.58 4.33 3hi1J1 CYS 378 HB2 0.01 0.06 -0.15 -0.04 2.97 2.85 3hi1J1 CYS 378 HB3 0.12 -0.02 0.16 -0.04 2.97 3.19 3hi1J1 GLY 379 H -0.01 0.24 0.14 -0.55 8.43 8.26 3hi1J1 GLY 379 HA2 0.05 0.15 0.25 -0.51 4.01 3.95 3hi1J1 GLY 379 HA3 0.03 0.09 0.48 -0.51 4.01 4.10 3hi1J1 GLY 380 H -0.01 0.02 0.01 -0.55 8.43 7.90 3hi1J1 GLY 380 HA2 0.10 -0.01 0.34 -0.51 4.01 3.93 3hi1J1 GLY 380 HA3 0.12 0.21 0.74 -0.51 4.01 4.57 3hi1J1 GLU 381 H -0.09 0.20 -0.48 -0.55 8.60 7.68 3hi1J1 GLU 381 HA 0.03 0.20 0.96 -0.75 4.29 4.73 3hi1J1 GLU 381 HB2 0.06 0.14 0.04 -0.04 2.09 2.29 3hi1J1 GLU 381 HB3 0.05 -0.03 -0.13 -0.04 1.99 1.84 3hi1J1 GLU 381 HG2 0.06 -0.06 -0.01 -0.04 2.34 2.29 3hi1J1 GLU 381 HG3 0.05 0.05 -0.18 -0.04 2.34 2.22 3hi1J1 PHE 382 H 0.24 0.76 0.24 -0.55 8.34 9.02 3hi1J1 PHE 382 HA -0.00 0.32 1.05 -0.75 4.62 5.23 3hi1J1 PHE 382 HB2 0.08 -0.02 0.11 -0.04 3.15 3.28 3hi1J1 PHE 382 HB3 -0.21 0.02 -0.08 -0.04 3.06 2.75 3hi1J1 PHE 382 HD2 0.02 0.09 -0.24 -0.04 7.28 7.11 3hi1J1 PHE 382 HE2 0.12 0.02 -0.10 -0.04 7.38 7.37 3hi1J1 PHE 382 HZ -0.24 0.03 -0.08 -0.04 7.32 6.99 3hi1J1 PHE 383 H -0.20 0.57 0.32 -0.55 8.34 8.48 3hi1J1 PHE 383 HA -0.12 0.24 0.84 -0.75 4.62 4.82 3hi1J1 PHE 383 HB2 -1.98 0.01 0.07 -0.04 3.15 1.21 3hi1J1 PHE 383 HB3 -0.45 0.03 -0.11 -0.04 3.06 2.49 3hi1J1 PHE 383 HD2 -0.14 -0.01 -0.21 -0.04 7.28 6.88 3hi1J1 PHE 383 HE2 0.00 0.05 -0.18 -0.04 7.38 7.21 3hi1J1 PHE 383 HZ 0.02 -0.06 -0.24 -0.04 7.32 7.00 3hi1J1 TYR 384 H 0.14 0.67 0.41 -0.55 8.29 8.96 3hi1J1 TYR 384 HA -0.01 0.14 0.71 -0.75 4.56 4.64 3hi1J1 TYR 384 HB2 -0.02 -0.04 0.15 -0.04 3.06 3.10 3hi1J1 TYR 384 HB3 0.01 -0.02 -0.08 -0.04 2.98 2.85 3hi1J1 TYR 384 HD2 -0.02 0.11 -0.27 -0.04 7.15 6.93 3hi1J1 TYR 384 HE2 -0.01 -0.09 -0.13 -0.04 6.85 6.57 3hi1J1 CYS 385 H 0.15 0.29 -0.03 -0.55 8.50 8.37 3hi1J1 CYS 385 HA 0.16 0.30 1.17 -0.75 4.58 5.46 3hi1J1 CYS 385 HB2 0.34 0.08 0.05 -0.04 2.97 3.40 3hi1J1 CYS 385 HB3 0.20 -0.02 -0.19 -0.04 2.97 2.93 3hi1J1 ASN 386 H 0.11 0.62 0.26 -0.55 8.53 8.97 3hi1J1 ASN 386 HA 0.11 0.02 0.54 -0.75 4.76 4.68 3hi1J1 ASN 386 HB2 0.07 0.11 0.23 -0.04 2.88 3.25 3hi1J1 ASN 386 HB3 0.07 0.01 0.32 -0.04 2.79 3.14 3hi1J1 ASN 386 HD21 0.05 0.01 0.03 -0.04 7.03 7.08 3hi1J1 ASN 386 HD22 0.05 0.04 0.05 -0.04 7.74 7.84 3hi1J1 SER 387 H 0.17 0.27 0.30 -0.55 8.46 8.65 3hi1J1 SER 387 HA 0.02 0.17 0.71 -0.75 4.49 4.64 3hi1J1 SER 387 HB2 0.21 -0.04 0.16 -0.04 3.95 4.24 3hi1J1 SER 387 HB3 0.19 0.07 0.05 -0.04 3.93 4.20 3hi1J1 THR 388 H 0.11 0.13 -0.35 -0.55 8.28 7.63 3hi1J1 THR 388 HA 0.18 0.12 0.41 -0.75 4.39 4.35 3hi1J1 THR 388 HB 0.07 -0.00 0.04 -0.04 4.32 4.38 3hi1J1 THR 388 HG23 0.09 0.02 -0.07 -0.04 1.22 1.22 3hi1J1 GLN 389 H 0.03 0.15 -0.27 -0.55 8.47 7.83 3hi1J1 GLN 389 HA 0.05 0.13 0.35 -0.75 4.36 4.14 3hi1J1 GLN 389 HB2 -0.06 0.03 -0.10 -0.04 2.15 1.98 3hi1J1 GLN 389 HB3 -0.00 0.00 0.06 -0.04 2.02 2.03 3hi1J1 GLN 389 HG2 0.02 0.01 0.01 -0.04 2.40 2.39 3hi1J1 GLN 389 HG3 0.02 -0.07 0.04 -0.04 2.39 2.34 3hi1J1 GLN 389 HE21 -0.00 0.46 0.25 -0.04 6.97 7.64 3hi1J1 GLN 389 HE22 0.01 -0.05 0.13 -0.04 7.69 7.73 3hi1J1 LEU 390 H -0.12 0.31 -0.60 -0.55 8.37 7.42 3hi1J1 LEU 390 HA -0.21 0.09 0.55 -0.75 4.35 4.03 3hi1J1 LEU 390 HB2 -0.92 0.16 0.06 -0.04 1.64 0.91 3hi1J1 LEU 390 HB3 -1.10 -0.01 0.00 -0.04 1.64 0.49 3hi1J1 LEU 390 HG -0.37 -0.08 -0.08 -0.04 1.64 1.07 3hi1J1 LEU 390 HD13 -0.64 0.01 -0.06 -0.04 0.93 0.19 3hi1J1 LEU 390 HD23 -0.96 0.00 -0.19 -0.04 0.89 -0.30 3hi1J1 PHE 391 H 0.10 0.31 -0.39 -0.55 8.34 7.80 3hi1J1 PHE 391 HA 0.21 0.14 0.73 -0.75 4.62 4.94 3hi1J1 PHE 391 HB2 0.14 -0.05 -0.10 -0.04 3.15 3.10 3hi1J1 PHE 391 HB3 0.19 0.08 -0.19 -0.04 3.06 3.09 3hi1J1 PHE 391 HD2 0.03 0.05 -0.09 -0.04 7.28 7.24 3hi1J1 PHE 391 HE2 0.07 -0.03 -0.05 -0.04 7.38 7.33 3hi1J1 PHE 391 HZ 0.05 0.01 -0.06 -0.04 7.32 7.27 3hi1J1 THR 392 H 0.27 0.20 -0.36 -0.55 8.28 7.84 3hi1J1 THR 392 HA 0.27 0.35 0.74 -0.75 4.39 5.00 3hi1J1 THR 392 HB 0.13 -0.06 0.09 -0.04 4.32 4.44 3hi1J1 THR 392 HG23 0.15 0.00 -0.00 -0.04 1.22 1.33 3hi1J1 TRP 393 H 0.45 0.31 0.16 -0.55 7.97 8.34 3hi1J1 TRP 393 HA 0.13 0.19 0.96 -0.75 4.62 5.15 3hi1J1 TRP 393 HB2 0.29 0.02 -0.15 -0.04 3.23 3.36 3hi1J1 TRP 393 HB3 0.45 -0.10 0.04 -0.04 3.23 3.59 3hi1J1 TRP 393 HD1 0.06 -0.01 0.01 -0.04 7.22 7.24 3hi1J1 TRP 393 HE1 0.01 -0.01 0.01 -0.04 10.20 10.17 3hi1J1 TRP 393 HE3 -0.02 -0.04 -0.22 -0.04 7.59 7.26 3hi1J1 TRP 393 HZ2 0.01 -0.04 -0.06 -0.04 7.44 7.31 3hi1J1 TRP 393 HZ3 -0.06 0.18 0.00 -0.04 7.13 7.20 3hi1J1 TRP 393 HH2 -0.01 -0.03 -0.06 -0.04 7.19 7.06 3hi1J1 ASN 394 H -1.01 0.31 0.24 -0.55 8.53 7.52 3hi1J1 ASN 394 HA -0.80 0.14 0.44 -0.75 4.76 3.79 3hi1J1 ASN 394 HB2 -0.24 -0.02 -0.14 -0.04 2.88 2.44 3hi1J1 ASN 394 HB3 -0.29 -0.06 0.13 -0.04 2.79 2.53 3hi1J1 ASN 394 HD21 -0.00 -0.03 -0.04 -0.04 7.03 6.91 3hi1J1 ASN 394 HD22 -0.04 -0.07 -0.31 -0.04 7.74 7.27 3hi1J1 ASP 395 H -0.38 0.14 0.06 -0.55 8.40 7.68 3hi1J1 ASP 395 HA -0.36 0.26 0.80 -0.75 4.63 4.57 3hi1J1 ASP 395 HB2 -0.18 0.01 0.10 -0.04 2.71 2.60 3hi1J1 ASP 395 HB3 -0.13 0.03 0.07 -0.04 2.70 2.62 3hi1J1 ARG 412 HA 0.03 -0.05 0.34 -0.75 4.34 3.91 3hi1J1 ARG 412 HB2 0.03 0.05 0.17 -0.04 1.90 2.11 3hi1J1 ARG 412 HB3 0.04 -0.60 0.17 -0.04 1.80 1.37 3hi1J1 ARG 412 HG2 0.03 -0.05 0.08 -0.04 1.67 1.70 3hi1J1 ARG 412 HG3 0.03 0.10 0.11 -0.04 1.67 1.87 3hi1J1 ARG 412 HD2 0.02 0.07 0.04 -0.04 3.22 3.30 3hi1J1 ARG 412 HD3 0.02 0.06 0.08 -0.04 3.22 3.34 3hi1J1 ASN 413 H 0.02 0.21 0.18 -0.55 8.53 8.39 3hi1J1 ASN 413 HA -0.00 0.23 0.77 -0.75 4.76 5.00 3hi1J1 ASN 413 HB2 0.00 0.09 -0.32 -0.04 2.88 2.61 3hi1J1 ASN 413 HB3 -0.01 -0.02 0.04 -0.04 2.79 2.77 3hi1J1 ASN 413 HD21 -0.01 -0.02 -0.04 -0.04 7.03 6.92 3hi1J1 ASN 413 HD22 -0.01 0.01 -0.04 -0.04 7.74 7.66 3hi1J1 ILE 414 H -0.03 0.44 0.34 -0.55 8.25 8.45 3hi1J1 ILE 414 HA -0.03 0.19 1.01 -0.75 4.18 4.59 3hi1J1 ILE 414 HB -0.12 -0.02 0.03 -0.04 1.89 1.74 3hi1J1 ILE 414 HG12 0.00 0.09 -0.10 -0.04 1.49 1.44 3hi1J1 ILE 414 HG13 -0.00 -0.19 -0.30 -0.04 1.21 0.68 3hi1J1 ILE 414 HG23 -0.09 0.03 -0.17 -0.04 0.93 0.66 3hi1J1 ILE 414 HD13 -0.02 0.02 -0.12 -0.04 0.88 0.72 3hi1J1 THR 415 H -0.04 0.20 0.15 -0.55 8.28 8.04 3hi1J1 THR 415 HA -0.03 0.41 1.17 -0.75 4.39 5.18 3hi1J1 THR 415 HB -0.07 -0.01 0.09 -0.04 4.32 4.29 3hi1J1 THR 415 HG23 -0.17 -0.00 -0.19 -0.04 1.22 0.81 3hi1J1 LEU 416 H 0.04 0.49 0.32 -0.55 8.37 8.67 3hi1J1 LEU 416 HA 0.02 0.21 0.93 -0.75 4.35 4.76 3hi1J1 LEU 416 HB2 0.08 -0.08 0.07 -0.04 1.64 1.67 3hi1J1 LEU 416 HB3 0.07 0.08 -0.08 -0.04 1.64 1.67 3hi1J1 LEU 416 HG -0.08 0.02 -0.15 -0.04 1.64 1.39 3hi1J1 LEU 416 HD13 -0.08 -0.00 -0.19 -0.04 0.93 0.62 3hi1J1 LEU 416 HD23 -0.07 0.08 -0.13 -0.04 0.89 0.74 3hi1J1 PRO 417 HA 0.09 0.10 0.67 -0.51 4.44 4.79 3hi1J1 PRO 417 HB2 0.05 0.04 0.07 -0.04 2.28 2.40 3hi1J1 PRO 417 HB3 0.04 0.03 0.13 -0.04 2.02 2.18 3hi1J1 PRO 417 HG2 0.06 -0.08 0.27 -0.04 2.03 2.23 3hi1J1 PRO 417 HG3 0.04 0.04 0.16 -0.04 2.03 2.22 3hi1J1 PRO 417 HD2 0.05 0.20 0.37 -0.04 3.68 4.26 3hi1J1 PRO 417 HD3 0.03 0.22 0.31 -0.04 3.65 4.16 3hi1J1 CYS 418 H 0.10 0.38 0.40 -0.55 8.50 8.83 3hi1J1 CYS 418 HA 0.10 0.26 1.28 -0.75 4.58 5.47 3hi1J1 CYS 418 HB2 0.13 0.38 0.10 -0.04 2.97 3.54 3hi1J1 CYS 418 HB3 0.13 -0.07 0.00 -0.04 2.97 2.99 3hi1J1 ARG 419 H 0.06 0.48 0.44 -0.55 8.46 8.89 3hi1J1 ARG 419 HA -0.07 0.20 0.96 -0.75 4.34 4.68 3hi1J1 ARG 419 HB2 -0.03 -0.05 0.09 -0.04 1.90 1.87 3hi1J1 ARG 419 HB3 -0.07 0.00 0.03 -0.04 1.80 1.73 3hi1J1 ARG 419 HG2 -0.02 0.12 0.01 -0.04 1.67 1.73 3hi1J1 ARG 419 HG3 -0.01 -0.02 -0.14 -0.04 1.67 1.46 3hi1J1 ARG 419 HD2 -0.07 -0.04 -0.03 -0.04 3.22 3.04 3hi1J1 ARG 419 HD3 -0.06 0.01 0.00 -0.04 3.22 3.13 3hi1J1 ILE 420 H -0.12 0.19 0.16 -0.55 8.25 7.93 3hi1J1 ILE 420 HA -0.19 0.34 1.03 -0.75 4.18 4.60 3hi1J1 ILE 420 HB -0.16 -0.03 0.10 -0.04 1.89 1.76 3hi1J1 ILE 420 HG12 -1.08 0.05 -0.24 -0.04 1.49 0.18 3hi1J1 ILE 420 HG13 -0.33 -0.04 -0.09 -0.04 1.21 0.71 3hi1J1 ILE 420 HG23 -0.24 -0.00 -0.26 -0.04 0.93 0.39 3hi1J1 ILE 420 HD13 -0.27 -0.00 0.01 -0.04 0.88 0.58 3hi1J1 LYS 421 H 0.20 0.89 0.31 -0.55 8.42 9.27 3hi1J1 LYS 421 HA 0.06 0.12 0.90 -0.75 4.32 4.64 3hi1J1 LYS 421 HB2 0.10 -0.02 -0.01 -0.04 1.87 1.90 3hi1J1 LYS 421 HB3 0.43 -0.03 0.12 -0.04 1.79 2.28 3hi1J1 LYS 421 HG2 0.15 0.08 -0.26 -0.04 1.46 1.39 3hi1J1 LYS 421 HG3 0.03 0.01 0.02 -0.04 1.46 1.48 3hi1J1 LYS 421 HD2 -0.05 -0.03 -0.05 -0.04 1.69 1.52 3hi1J1 LYS 421 HD3 0.16 -0.04 -0.08 -0.04 1.68 1.68 3hi1J1 LYS 421 HE2 0.06 0.01 -0.05 -0.04 2.99 2.97 3hi1J1 LYS 421 HE3 -0.00 0.02 -0.02 -0.04 2.99 2.95 3hi1J1 GLN 422 H 0.07 0.18 0.15 -0.55 8.47 8.33 3hi1J1 GLN 422 HA 0.15 0.13 0.88 -0.75 4.36 4.76 3hi1J1 GLN 422 HB2 0.06 -0.03 0.09 -0.04 2.15 2.22 3hi1J1 GLN 422 HB3 0.08 0.10 0.04 -0.04 2.02 2.19 3hi1J1 GLN 422 HG2 0.05 0.05 -0.02 -0.04 2.40 2.43 3hi1J1 GLN 422 HG3 0.03 -0.04 -0.12 -0.04 2.39 2.22 3hi1J1 GLN 422 HE21 0.01 -0.01 0.02 -0.04 6.97 6.94 3hi1J1 GLN 422 HE22 0.02 0.01 -0.01 -0.04 7.69 7.67 3hi1J1 ILE 423 H 0.22 0.32 0.22 -0.55 8.25 8.47 3hi1J1 ILE 423 HA 0.28 -0.04 0.34 -0.75 4.18 4.00 3hi1J1 ILE 423 HB 0.15 0.01 0.19 -0.04 1.89 2.20 3hi1J1 ILE 423 HG12 0.70 -0.11 0.08 -0.04 1.49 2.12 3hi1J1 ILE 423 HG13 0.34 0.35 0.33 -0.04 1.21 2.19 3hi1J1 ILE 423 HG23 0.17 -0.02 -0.18 -0.04 0.93 0.86 3hi1J1 ILE 423 HD13 0.24 -0.04 0.12 -0.04 0.88 1.16 3hi1J1 ILE 424 H 0.13 0.08 0.16 -0.55 8.25 8.07 3hi1J1 ILE 424 HA 0.05 0.07 0.53 -0.75 4.18 4.08 3hi1J1 ILE 424 HB 0.06 -0.05 0.18 -0.04 1.89 2.03 3hi1J1 ILE 424 HG12 0.04 0.02 0.06 -0.04 1.49 1.57 3hi1J1 ILE 424 HG13 0.08 0.04 0.15 -0.04 1.21 1.43 3hi1J1 ILE 424 HG23 0.02 0.02 -0.03 -0.04 0.93 0.89 3hi1J1 ILE 424 HD13 0.03 -0.02 0.03 -0.04 0.88 0.88 3hi1J1 ASN 425 H 0.05 0.23 0.18 -0.55 8.53 8.44 3hi1J1 ASN 425 HA 0.03 -0.08 0.08 -0.75 4.76 4.04 3hi1J1 ASN 425 HB2 0.03 -0.07 0.10 -0.04 2.88 2.90 3hi1J1 ASN 425 HB3 0.05 0.20 -0.03 -0.04 2.79 2.97 3hi1J1 ASN 425 HD21 0.02 -0.00 0.04 -0.04 7.03 7.05 3hi1J1 ASN 425 HD22 0.03 0.00 0.01 -0.04 7.74 7.74 3hi1J1 MET 426 H 0.01 0.02 0.00 -0.55 8.47 7.96 3hi1J1 MET 426 HA -0.03 0.11 0.56 -0.75 4.52 4.41 3hi1J1 MET 426 HB2 -0.03 -0.03 0.09 -0.04 2.15 2.15 3hi1J1 MET 426 HB3 0.09 -0.01 0.03 -0.04 2.03 2.09 3hi1J1 MET 426 HG2 -0.19 -0.02 -0.02 -0.04 2.63 2.36 3hi1J1 MET 426 HG3 -0.05 0.02 0.08 -0.04 2.56 2.56 3hi1J1 MET 426 HE3 -0.01 0.00 -0.01 -0.04 2.10 2.04 3hi1J1 TRP 427 H 0.24 0.06 -0.10 -0.55 7.97 7.63 3hi1J1 TRP 427 HA -0.06 0.05 0.64 -0.75 4.62 4.50 3hi1J1 TRP 427 HB2 -0.10 0.12 -0.01 -0.04 3.23 3.21 3hi1J1 TRP 427 HB3 -0.06 0.01 -0.05 -0.04 3.23 3.09 3hi1J1 TRP 427 HD1 -0.17 -0.07 -0.09 -0.04 7.22 6.84 3hi1J1 TRP 427 HE1 -0.11 -0.03 -0.04 -0.04 10.20 9.97 3hi1J1 TRP 427 HE3 -0.04 0.02 0.00 -0.04 7.59 7.53 3hi1J1 TRP 427 HZ2 -0.05 -0.03 -0.02 -0.04 7.44 7.30 3hi1J1 TRP 427 HZ3 -0.03 -0.01 -0.00 -0.04 7.13 7.04 3hi1J1 TRP 427 HH2 -0.03 -0.03 -0.01 -0.04 7.19 7.09 3hi1J1 GLN 428 H -0.02 0.09 0.14 -0.55 8.47 8.15 3hi1J1 GLN 428 HA 0.05 -0.03 0.29 -0.75 4.36 3.92 3hi1J1 GLN 428 HB2 0.11 0.40 -0.21 -0.04 2.15 2.40 3hi1J1 GLN 428 HB3 0.07 -0.09 0.09 -0.04 2.02 2.05 3hi1J1 GLN 428 HG2 0.32 -0.12 -0.28 -0.04 2.40 2.28 3hi1J1 GLN 428 HG3 0.14 0.07 -0.12 -0.04 2.39 2.43 3hi1J1 GLN 428 HE21 0.11 -0.03 -0.01 -0.04 6.97 7.01 3hi1J1 GLN 428 HE22 0.17 0.04 -0.03 -0.04 7.69 7.83 3hi1J1 GLU 429 H 0.03 0.32 0.18 -0.55 8.60 8.58 3hi1J1 GLU 429 HA 0.01 0.10 0.36 -0.75 4.29 4.00 3hi1J1 GLU 429 HB2 -0.01 0.36 -0.07 -0.04 2.09 2.34 3hi1J1 GLU 429 HB3 -0.01 -0.05 -0.14 -0.04 1.99 1.75 3hi1J1 GLU 429 HG2 -0.00 -0.50 0.23 -0.04 2.34 2.03 3hi1J1 GLU 429 HG3 -0.01 0.12 0.10 -0.04 2.34 2.51 3hi1J1 VAL 430 H -0.00 0.14 0.11 -0.55 8.24 7.94 3hi1J1 VAL 430 HA -0.00 -0.02 0.37 -0.75 4.13 3.71 3hi1J1 VAL 430 HB 0.00 0.10 0.02 -0.04 2.12 2.21 3hi1J1 VAL 430 HG13 -0.00 -0.01 0.09 -0.04 0.97 1.01 3hi1J1 VAL 430 HG23 -0.01 0.00 0.03 -0.04 0.95 0.93 3hi1J1 GLY 431 H -0.00 0.13 -0.15 -0.55 8.43 7.86 3hi1J1 GLY 431 HA2 0.01 0.18 0.84 -0.51 4.01 4.54 3hi1J1 GLY 431 HA3 0.01 0.13 0.28 -0.51 4.01 3.92 3hi1J1 LYS 432 H -0.00 0.19 -0.08 -0.55 8.42 7.98 3hi1J1 LYS 432 HA -0.02 0.18 0.84 -0.75 4.32 4.56 3hi1J1 LYS 432 HB2 -0.03 0.01 0.05 -0.04 1.87 1.86 3hi1J1 LYS 432 HB3 -0.01 0.03 0.04 -0.04 1.79 1.81 3hi1J1 LYS 432 HG2 -0.04 0.03 0.04 -0.04 1.46 1.44 3hi1J1 LYS 432 HG3 -0.01 0.02 0.07 -0.04 1.46 1.50 3hi1J1 LYS 432 HD2 -0.10 -0.08 0.22 -0.04 1.69 1.69 3hi1J1 LYS 432 HD3 -0.14 0.04 0.06 -0.04 1.68 1.60 3hi1J1 LYS 432 HE2 -0.47 0.01 0.06 -0.04 2.99 2.55 3hi1J1 LYS 432 HE3 -0.12 0.02 0.04 -0.04 2.99 2.90 3hi1J1 ALA 433 H 0.01 0.09 -0.13 -0.55 8.40 7.83 3hi1J1 ALA 433 HA 0.03 0.12 0.58 -0.75 4.34 4.32 3hi1J1 ALA 433 HB3 0.02 0.02 0.11 -0.04 1.41 1.52 3hi1J1 MET 434 H 0.06 -0.10 -1.01 -0.55 8.47 6.87 3hi1J1 MET 434 HA 0.06 0.12 0.73 -0.75 4.52 4.68 3hi1J1 MET 434 HB2 0.03 -0.02 -0.22 -0.04 2.15 1.91 3hi1J1 MET 434 HB3 0.05 0.09 -0.11 -0.04 2.03 2.02 3hi1J1 MET 434 HG2 0.03 -0.01 -0.03 -0.04 2.63 2.58 3hi1J1 MET 434 HG3 0.03 0.19 -0.22 -0.04 2.56 2.52 3hi1J1 MET 434 HE3 0.01 -0.01 -0.05 -0.04 2.10 2.02 3hi1J1 TYR 435 H 0.06 -0.12 0.09 -0.55 8.29 7.78 3hi1J1 TYR 435 HA 0.01 -0.02 0.36 -0.75 4.56 4.15 3hi1J1 TYR 435 HB2 0.00 -0.04 -0.41 -0.04 3.06 2.57 3hi1J1 TYR 435 HB3 0.00 0.21 0.31 -0.04 2.98 3.47 3hi1J1 TYR 435 HD2 0.00 -0.00 0.13 -0.04 7.15 7.24 3hi1J1 TYR 435 HE2 0.00 0.00 0.04 -0.04 6.85 6.85 3hi1J1 ALA 436 H 0.66 0.10 0.20 -0.55 8.40 8.81 3hi1J1 ALA 436 HA 0.03 0.20 0.55 -0.75 4.34 4.38 3hi1J1 ALA 436 HB3 0.01 -0.01 0.03 -0.04 1.41 1.40 3hi1J1 PRO 437 HA 0.06 0.16 0.55 -0.51 4.44 4.70 3hi1J1 PRO 437 HB2 0.04 0.03 0.03 -0.04 2.28 2.33 3hi1J1 PRO 437 HB3 0.04 0.06 0.01 -0.04 2.02 2.08 3hi1J1 PRO 437 HG2 0.03 0.03 0.14 -0.04 2.03 2.19 3hi1J1 PRO 437 HG3 0.03 0.07 0.09 -0.04 2.03 2.18 3hi1J1 PRO 437 HD2 0.03 0.07 0.14 -0.04 3.68 3.89 3hi1J1 PRO 437 HD3 0.03 0.11 0.25 -0.04 3.65 4.00 3hi1J1 PRO 438 HA 0.04 0.16 0.70 -0.51 4.44 4.83 3hi1J1 PRO 438 HB2 0.03 0.01 -0.03 -0.04 2.28 2.25 3hi1J1 PRO 438 HB3 0.05 0.01 0.02 -0.04 2.02 2.06 3hi1J1 PRO 438 HG2 0.02 -0.00 0.13 -0.04 2.03 2.14 3hi1J1 PRO 438 HG3 0.04 0.07 0.09 -0.04 2.03 2.19 3hi1J1 PRO 438 HD2 0.03 -0.00 0.24 -0.04 3.68 3.91 3hi1J1 PRO 438 HD3 0.07 0.56 0.50 -0.04 3.65 4.74 3hi1J1 ILE 439 H 0.02 0.16 0.04 -0.55 8.25 7.92 3hi1J1 ILE 439 HA 0.02 0.06 0.11 -0.75 4.18 3.61 3hi1J1 ILE 439 HB 0.01 0.03 0.24 -0.04 1.89 2.13 3hi1J1 ILE 439 HG12 0.01 -0.01 0.05 -0.04 1.49 1.49 3hi1J1 ILE 439 HG13 0.02 -0.05 0.17 -0.04 1.21 1.31 3hi1J1 ILE 439 HG23 0.01 0.04 0.04 -0.04 0.93 0.98 3hi1J1 ILE 439 HD13 0.00 0.01 0.06 -0.04 0.88 0.91 3hi1J1 ARG 440 H 0.03 0.64 -0.04 -0.55 8.46 8.53 3hi1J1 ARG 440 HA 0.02 0.14 0.76 -0.75 4.34 4.51 3hi1J1 ARG 440 HB2 0.03 0.03 0.03 -0.04 1.90 1.95 3hi1J1 ARG 440 HB3 0.03 0.01 0.07 -0.04 1.80 1.87 3hi1J1 ARG 440 HG2 0.02 0.10 -0.00 -0.04 1.67 1.75 3hi1J1 ARG 440 HG3 0.03 -0.11 -0.47 -0.04 1.67 1.08 3hi1J1 ARG 440 HD2 0.03 0.01 0.00 -0.04 3.22 3.23 3hi1J1 ARG 440 HD3 0.02 0.00 -0.03 -0.04 3.22 3.17 3hi1J1 GLY 441 H 0.03 -0.17 0.18 -0.55 8.43 7.92 3hi1J1 GLY 441 HA2 0.02 0.16 0.27 -0.51 4.01 3.95 3hi1J1 GLY 441 HA3 0.02 0.06 0.11 -0.51 4.01 3.70 3hi1J1 GLN 442 H 0.02 0.11 0.08 -0.55 8.47 8.12 3hi1J1 GLN 442 HA 0.03 -0.57 0.50 -0.75 4.36 3.56 3hi1J1 GLN 442 HB2 0.03 0.06 -0.01 -0.04 2.15 2.18 3hi1J1 GLN 442 HB3 0.02 0.02 0.06 -0.04 2.02 2.08 3hi1J1 GLN 442 HG2 0.03 0.25 -0.02 -0.04 2.40 2.63 3hi1J1 GLN 442 HG3 0.04 -0.02 0.13 -0.04 2.39 2.50 3hi1J1 GLN 442 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 3hi1J1 GLN 442 HE22 0.03 0.04 -0.01 -0.04 7.69 7.71 3hi1J1 ILE 443 H 0.03 0.15 0.21 -0.55 8.25 8.09 3hi1J1 ILE 443 HA 0.01 0.23 0.94 -0.75 4.18 4.61 3hi1J1 ILE 443 HB 0.01 0.04 -0.08 -0.04 1.89 1.82 3hi1J1 ILE 443 HG12 0.01 0.05 -0.14 -0.04 1.49 1.36 3hi1J1 ILE 443 HG13 0.02 -0.22 0.03 -0.04 1.21 1.01 3hi1J1 ILE 443 HG23 -0.01 -0.01 0.12 -0.04 0.93 1.00 3hi1J1 ILE 443 HD13 0.01 0.03 -0.13 -0.04 0.88 0.75 3hi1J1 ARG 444 H -0.00 0.00 0.25 -0.55 8.46 8.15 3hi1J1 ARG 444 HA 0.01 0.16 0.63 -0.75 4.34 4.39 3hi1J1 ARG 444 HB2 -0.01 0.00 0.24 -0.04 1.90 2.09 3hi1J1 ARG 444 HB3 0.01 0.06 0.09 -0.04 1.80 1.91 3hi1J1 ARG 444 HG2 -0.02 0.01 -0.05 -0.04 1.67 1.57 3hi1J1 ARG 444 HG3 -0.01 0.01 0.03 -0.04 1.67 1.67 3hi1J1 ARG 444 HD2 0.00 0.03 -0.02 -0.04 3.22 3.19 3hi1J1 ARG 444 HD3 -0.01 0.00 0.27 -0.04 3.22 3.44 3hi1J1 CYS 445 H -0.06 0.30 0.18 -0.55 8.50 8.38 3hi1J1 CYS 445 HA -0.09 0.26 0.81 -0.75 4.58 4.81 3hi1J1 CYS 445 HB2 -0.22 -0.02 0.01 -0.04 2.97 2.71 3hi1J1 CYS 445 HB3 -0.14 0.08 0.10 -0.04 2.97 2.98 3hi1J1 SER 446 H -0.06 0.01 -0.03 -0.55 8.46 7.84 3hi1J1 SER 446 HA -0.08 0.25 0.83 -0.75 4.49 4.74 3hi1J1 SER 446 HB2 -0.03 0.04 -0.01 -0.04 3.95 3.91 3hi1J1 SER 446 HB3 -0.03 -0.12 0.21 -0.04 3.93 3.95 3hi1J1 SER 447 H -0.10 0.51 0.44 -0.55 8.46 8.76 3hi1J1 SER 447 HA -0.06 0.14 0.83 -0.75 4.49 4.65 3hi1J1 SER 447 HB2 -0.10 -0.23 0.15 -0.04 3.95 3.73 3hi1J1 SER 447 HB3 -0.12 0.12 -0.20 -0.04 3.93 3.69 3hi1J1 ASN 448 H -0.05 0.17 0.18 -0.55 8.53 8.28 3hi1J1 ASN 448 HA -0.03 0.22 0.83 -0.75 4.76 5.02 3hi1J1 ASN 448 HB2 -0.02 -0.02 0.15 -0.04 2.88 2.95 3hi1J1 ASN 448 HB3 -0.01 0.04 -0.14 -0.04 2.79 2.65 3hi1J1 ASN 448 HD21 -0.01 0.02 -0.08 -0.04 7.03 6.91 3hi1J1 ASN 448 HD22 -0.02 0.03 -0.01 -0.04 7.74 7.70 3hi1J1 ILE 449 H -0.02 0.81 0.30 -0.55 8.25 8.80 3hi1J1 ILE 449 HA -0.02 0.20 0.83 -0.75 4.18 4.45 3hi1J1 ILE 449 HB 0.06 -0.07 0.28 -0.04 1.89 2.13 3hi1J1 ILE 449 HG12 -0.12 0.02 -0.07 -0.04 1.49 1.27 3hi1J1 ILE 449 HG13 -0.08 0.03 0.00 -0.04 1.21 1.12 3hi1J1 ILE 449 HG23 0.09 -0.00 -0.05 -0.04 0.93 0.93 3hi1J1 ILE 449 HD13 -0.18 -0.01 -0.07 -0.04 0.88 0.57 3hi1J1 THR 450 H 0.01 0.55 0.27 -0.55 8.28 8.57 3hi1J1 THR 450 HA 0.01 0.15 0.81 -0.75 4.39 4.61 3hi1J1 THR 450 HB 0.01 0.18 -0.20 -0.04 4.32 4.26 3hi1J1 THR 450 HG23 0.01 0.11 -0.35 -0.04 1.22 0.95 3hi1J1 GLY 451 H 0.03 0.29 0.12 -0.55 8.43 8.32 3hi1J1 GLY 451 HA2 -0.00 -0.00 0.36 -0.51 4.01 3.86 3hi1J1 GLY 451 HA3 0.00 0.17 0.53 -0.51 4.01 4.20 3hi1J1 LEU 452 H 0.01 0.41 0.37 -0.55 8.37 8.61 3hi1J1 LEU 452 HA 0.07 0.24 1.07 -0.75 4.35 4.98 3hi1J1 LEU 452 HB2 0.01 -0.11 -0.01 -0.04 1.64 1.49 3hi1J1 LEU 452 HB3 0.07 0.15 -0.03 -0.04 1.64 1.79 3hi1J1 LEU 452 HG 0.20 0.10 -0.06 -0.04 1.64 1.84 3hi1J1 LEU 452 HD13 0.02 -0.08 -0.36 -0.04 0.93 0.47 3hi1J1 LEU 452 HD23 0.14 0.01 -0.11 -0.04 0.89 0.88 3hi1J1 LEU 453 H 0.04 0.73 0.34 -0.55 8.37 8.92 3hi1J1 LEU 453 HA 0.02 0.23 1.05 -0.75 4.35 4.89 3hi1J1 LEU 453 HB2 -0.01 -0.04 0.23 -0.04 1.64 1.78 3hi1J1 LEU 453 HB3 -0.01 0.02 0.10 -0.04 1.64 1.72 3hi1J1 LEU 453 HG -0.02 -0.03 -0.25 -0.04 1.64 1.30 3hi1J1 LEU 453 HD13 -0.07 0.02 -0.07 -0.04 0.93 0.76 3hi1J1 LEU 453 HD23 -0.03 0.04 -0.13 -0.04 0.89 0.74 3hi1J1 LEU 454 H 0.05 0.69 0.33 -0.55 8.37 8.89 3hi1J1 LEU 454 HA 0.04 0.39 0.98 -0.75 4.35 5.00 3hi1J1 LEU 454 HB2 0.12 -0.04 -0.02 -0.04 1.64 1.66 3hi1J1 LEU 454 HB3 0.24 0.00 0.02 -0.04 1.64 1.86 3hi1J1 LEU 454 HG 0.04 -0.09 -0.43 -0.04 1.64 1.11 3hi1J1 LEU 454 HD13 0.04 -0.02 -0.18 -0.04 0.93 0.73 3hi1J1 LEU 454 HD23 0.03 0.08 -0.21 -0.04 0.89 0.76 3hi1J1 THR 455 H 0.09 0.48 0.32 -0.55 8.28 8.63 3hi1J1 THR 455 HA 0.06 0.19 0.70 -0.75 4.39 4.59 3hi1J1 THR 455 HB -0.01 0.10 0.04 -0.04 4.32 4.40 3hi1J1 THR 455 HG23 -0.00 -0.01 -0.07 -0.04 1.22 1.10 3hi1J1 ARG 456 H -0.03 0.37 0.21 -0.55 8.46 8.45 3hi1J1 ARG 456 HA -0.42 0.28 1.03 -0.75 4.34 4.47 3hi1J1 ARG 456 HB2 -0.26 -0.05 -0.04 -0.04 1.90 1.52 3hi1J1 ARG 456 HB3 -0.15 0.00 0.09 -0.04 1.80 1.70 3hi1J1 ARG 456 HG2 -0.39 0.19 -0.06 -0.04 1.67 1.37 3hi1J1 ARG 456 HG3 -1.04 0.03 0.10 -0.04 1.67 0.72 3hi1J1 ARG 456 HD2 -0.55 -0.01 -0.03 -0.04 3.22 2.58 3hi1J1 ARG 456 HD3 -0.77 -0.04 -0.08 -0.04 3.22 2.29 3hi1J1 ASP 457 H -0.33 0.42 0.31 -0.55 8.40 8.25 3hi1J1 ASP 457 HA -0.11 0.09 0.61 -0.75 4.63 4.47 3hi1J1 ASP 457 HB2 -0.16 -0.03 0.15 -0.04 2.71 2.62 3hi1J1 ASP 457 HB3 -0.09 -0.08 0.00 -0.04 2.70 2.49 3hi1J1 GLY 458 H -0.07 0.14 0.04 -0.55 8.43 7.99 3hi1J1 GLY 458 HA2 -0.08 0.23 0.83 -0.51 4.01 4.48 3hi1J1 GLY 458 HA3 -0.06 0.01 0.33 -0.51 4.01 3.77 3hi1J1 GLY 459 H -0.06 0.24 0.00 -0.55 8.43 8.07 3hi1J1 GLY 459 HA2 -0.03 0.18 0.88 -0.51 4.01 4.53 3hi1J1 GLY 459 HA3 -0.04 0.01 0.25 -0.51 4.01 3.72 3hi1J1 LYS 460 H -0.02 0.13 0.12 -0.55 8.42 8.10 3hi1J1 LYS 460 HA -0.02 0.11 0.41 -0.75 4.32 4.07 3hi1J1 LYS 460 HB2 -0.01 0.02 0.13 -0.04 1.87 1.96 3hi1J1 LYS 460 HB3 -0.01 -0.05 0.15 -0.04 1.79 1.83 3hi1J1 LYS 460 HG2 -0.01 -0.01 -0.01 -0.04 1.46 1.38 3hi1J1 LYS 460 HG3 -0.01 0.02 -0.30 -0.04 1.46 1.13 3hi1J1 LYS 460 HD2 -0.01 0.04 0.12 -0.04 1.69 1.80 3hi1J1 LYS 460 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.66 3hi1J1 LYS 460 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.93 3hi1J1 LYS 460 HE3 -0.01 0.01 0.02 -0.04 2.99 2.97 3hi1J1 ASP 461 H -0.02 0.03 -0.23 -0.55 8.40 7.62 3hi1J1 ASP 461 HA -0.02 0.21 0.70 -0.75 4.63 4.77 3hi1J1 ASP 461 HB2 -0.02 -0.04 0.13 -0.04 2.71 2.75 3hi1J1 ASP 461 HB3 -0.01 0.03 0.13 -0.04 2.70 2.80 3hi1J1 THR 462 H -0.03 0.49 -0.20 -0.55 8.28 8.00 3hi1J1 THR 462 HA -0.03 0.09 0.69 -0.75 4.39 4.38 3hi1J1 THR 462 HB -0.07 0.22 0.11 -0.04 4.32 4.54 3hi1J1 THR 462 HG23 -0.06 -0.03 -0.21 -0.04 1.22 0.89 3hi1J1 ASN 463 H -0.02 0.21 0.11 -0.55 8.53 8.28 3hi1J1 ASN 463 HA -0.02 0.23 1.01 -0.75 4.76 5.24 3hi1J1 ASN 463 HB2 -0.01 0.01 0.14 -0.04 2.88 2.97 3hi1J1 ASN 463 HB3 -0.01 0.03 0.01 -0.04 2.79 2.79 3hi1J1 ASN 463 HD21 -0.01 -0.01 -0.06 -0.04 7.03 6.92 3hi1J1 ASN 463 HD22 -0.01 0.01 -0.03 -0.04 7.74 7.67 3hi1J1 GLY 464 H -0.01 0.23 0.16 -0.55 8.43 8.26 3hi1J1 GLY 464 HA2 0.00 0.07 0.33 -0.51 4.01 3.91 3hi1J1 GLY 464 HA3 0.00 0.09 0.46 -0.51 4.01 4.05 3hi1J1 THR 465 H -0.02 -0.21 -1.62 -0.55 8.28 5.88 3hi1J1 THR 465 HA -0.01 0.23 0.91 -0.75 4.39 4.76 3hi1J1 THR 465 HB -0.01 0.11 0.06 -0.04 4.32 4.44 3hi1J1 THR 465 HG23 -0.03 -0.11 -0.00 -0.04 1.22 1.03 3hi1J1 GLU 466 H -0.03 0.70 0.30 -0.55 8.60 9.02 3hi1J1 GLU 466 HA -0.21 0.13 0.97 -0.75 4.29 4.43 3hi1J1 GLU 466 HB2 -0.01 -0.01 0.00 -0.04 2.09 2.03 3hi1J1 GLU 466 HB3 -0.48 0.03 -0.07 -0.04 1.99 1.43 3hi1J1 GLU 466 HG2 -0.10 -0.04 -0.51 -0.04 2.34 1.65 3hi1J1 GLU 466 HG3 -0.26 0.03 -0.16 -0.04 2.34 1.91 3hi1J1 ILE 467 H -0.30 0.15 0.21 -0.55 8.25 7.76 3hi1J1 ILE 467 HA -0.06 0.34 1.03 -0.75 4.18 4.74 3hi1J1 ILE 467 HB -0.13 -0.10 0.13 -0.04 1.89 1.74 3hi1J1 ILE 467 HG12 -0.02 0.06 -0.13 -0.04 1.49 1.36 3hi1J1 ILE 467 HG13 -0.08 -0.05 -0.19 -0.04 1.21 0.85 3hi1J1 ILE 467 HG23 0.00 0.01 -0.15 -0.04 0.93 0.75 3hi1J1 ILE 467 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.75 3hi1J1 PHE 468 H 0.17 0.56 0.47 -0.55 8.34 8.99 3hi1J1 PHE 468 HA 0.02 0.30 1.13 -0.75 4.62 5.32 3hi1J1 PHE 468 HB2 0.27 -0.03 0.06 -0.04 3.15 3.40 3hi1J1 PHE 468 HB3 0.19 0.01 0.02 -0.04 3.06 3.24 3hi1J1 PHE 468 HD2 -0.11 0.05 -0.21 -0.04 7.28 6.97 3hi1J1 PHE 468 HE2 -0.11 0.01 -0.18 -0.04 7.38 7.05 3hi1J1 PHE 468 HZ -0.49 0.03 -0.16 -0.04 7.32 6.66 3hi1J1 ARG 469 H 0.14 0.49 0.41 -0.55 8.46 8.94 3hi1J1 ARG 469 HA 0.03 0.42 0.96 -0.75 4.34 4.99 3hi1J1 ARG 469 HB2 -0.01 -0.07 0.03 -0.04 1.90 1.82 3hi1J1 ARG 469 HB3 -0.04 -0.04 0.01 -0.04 1.80 1.70 3hi1J1 ARG 469 HG2 0.04 0.36 -0.23 -0.04 1.67 1.80 3hi1J1 ARG 469 HG3 0.06 -0.13 -0.67 -0.04 1.67 0.89 3hi1J1 ARG 469 HD2 -0.02 -0.02 -0.13 -0.04 3.22 3.01 3hi1J1 ARG 469 HD3 -0.00 -0.11 -0.02 -0.04 3.22 3.04 3hi1J1 PRO 470 HA -0.37 0.13 -0.05 -0.51 4.44 3.65 3hi1J1 PRO 470 HB2 -0.74 0.01 0.09 -0.04 2.28 1.59 3hi1J1 PRO 470 HB3 -2.69 0.02 0.05 -0.04 2.02 -0.64 3hi1J1 PRO 470 HG2 -0.24 0.13 0.11 -0.04 2.03 1.99 3hi1J1 PRO 470 HG3 -0.44 -0.09 0.17 -0.04 2.03 1.63 3hi1J1 PRO 470 HD2 -0.12 0.02 0.13 -0.04 3.68 3.66 3hi1J1 PRO 470 HD3 -0.21 0.48 0.24 -0.04 3.65 4.13 3hi1J1 GLY 471 H -0.09 0.12 -0.06 -0.55 8.43 7.85 3hi1J1 GLY 471 HA2 -0.04 0.07 1.03 -0.51 4.01 4.57 3hi1J1 GLY 471 HA3 -0.04 0.08 0.30 -0.51 4.01 3.84 3hi1J1 GLY 472 H -0.03 0.16 0.01 -0.55 8.43 8.03 3hi1J1 GLY 472 HA2 -0.01 0.16 0.80 -0.51 4.01 4.44 3hi1J1 GLY 472 HA3 -0.00 0.05 -0.00 -0.51 4.01 3.54 3hi1J1 GLY 473 H -0.02 0.17 0.12 -0.55 8.43 8.15 3hi1J1 GLY 473 HA2 -0.03 0.02 0.34 -0.51 4.01 3.83 3hi1J1 GLY 473 HA3 -0.03 0.06 0.48 -0.51 4.01 4.02 3hi1J1 ASP 474 H -0.07 0.04 0.19 -0.55 8.40 8.02 3hi1J1 ASP 474 HA -0.08 0.30 0.89 -0.75 4.63 4.99 3hi1J1 ASP 474 HB2 -0.12 -0.13 0.23 -0.04 2.71 2.65 3hi1J1 ASP 474 HB3 -0.06 0.11 0.07 -0.04 2.70 2.77 3hi1J1 MET 475 H -0.15 0.18 0.15 -0.55 8.47 8.11 3hi1J1 MET 475 HA -0.38 0.22 0.50 -0.75 4.52 4.12 3hi1J1 MET 475 HB2 0.00 -0.02 0.10 -0.04 2.15 2.19 3hi1J1 MET 475 HB3 -0.44 0.03 0.07 -0.04 2.03 1.65 3hi1J1 MET 475 HG2 -0.16 0.13 0.01 -0.04 2.63 2.57 3hi1J1 MET 475 HG3 -0.04 -0.02 0.02 -0.04 2.56 2.47 3hi1J1 MET 475 HE3 0.35 -0.00 -0.04 -0.04 2.10 2.37 3hi1J1 ARG 476 H -0.35 0.08 -0.14 -0.55 8.46 7.50 3hi1J1 ARG 476 HA -0.26 0.08 0.42 -0.75 4.34 3.84 3hi1J1 ARG 476 HB2 -0.14 -0.01 0.00 -0.04 1.90 1.71 3hi1J1 ARG 476 HB3 -0.04 0.03 -0.05 -0.04 1.80 1.70 3hi1J1 ARG 476 HG2 -0.13 0.05 -0.02 -0.04 1.67 1.53 3hi1J1 ARG 476 HG3 -0.48 -0.06 0.04 -0.04 1.67 1.14 3hi1J1 ARG 476 HD2 -0.01 -0.01 -0.04 -0.04 3.22 3.12 3hi1J1 ARG 476 HD3 -0.09 0.04 -0.00 -0.04 3.22 3.13 3hi1J1 ASP 477 H -0.24 0.24 -0.49 -0.55 8.40 7.36 3hi1J1 ASP 477 HA -0.10 0.02 0.32 -0.75 4.63 4.12 3hi1J1 ASP 477 HB2 -0.13 0.38 0.14 -0.04 2.71 3.06 3hi1J1 ASP 477 HB3 -0.07 0.05 -0.04 -0.04 2.70 2.60 3hi1J1 ASN 478 H -0.58 0.29 -0.25 -0.55 8.53 7.45 3hi1J1 ASN 478 HA -0.20 0.08 0.48 -0.75 4.76 4.37 3hi1J1 ASN 478 HB2 -1.81 0.05 0.20 -0.04 2.88 1.28 3hi1J1 ASN 478 HB3 -0.43 0.01 0.02 -0.04 2.79 2.35 3hi1J1 ASN 478 HD21 -0.21 0.52 0.21 -0.04 7.03 7.51 3hi1J1 ASN 478 HD22 -0.51 -0.05 0.17 -0.04 7.74 7.31 3hi1J1 TRP 479 H -1.03 0.29 -0.02 -0.55 7.97 6.67 3hi1J1 TRP 479 HA 0.01 0.04 0.35 -0.75 4.62 4.26 3hi1J1 TRP 479 HB2 -0.01 0.04 0.10 -0.04 3.23 3.31 3hi1J1 TRP 479 HB3 -0.03 -0.01 0.07 -0.04 3.23 3.21 3hi1J1 TRP 479 HD1 0.08 0.01 0.06 -0.04 7.22 7.32 3hi1J1 TRP 479 HE1 0.71 -0.08 -0.09 -0.04 10.20 10.69 3hi1J1 TRP 479 HE3 0.02 0.00 -0.19 -0.04 7.59 7.39 3hi1J1 TRP 479 HZ2 0.14 -0.04 -0.09 -0.04 7.44 7.41 3hi1J1 TRP 479 HZ3 0.02 0.02 -0.16 -0.04 7.13 6.98 3hi1J1 TRP 479 HH2 0.05 -0.02 -0.27 -0.04 7.19 6.91 3hi1J1 ARG 480 H 0.02 0.61 -0.23 -0.55 8.46 8.31 3hi1J1 ARG 480 HA 0.04 -0.05 0.30 -0.75 4.34 3.87 3hi1J1 ARG 480 HB2 -0.04 -0.05 0.02 -0.04 1.90 1.79 3hi1J1 ARG 480 HB3 -0.08 0.18 0.10 -0.04 1.80 1.96 3hi1J1 ARG 480 HG2 -0.27 0.03 -0.20 -0.04 1.67 1.19 3hi1J1 ARG 480 HG3 -0.23 0.03 0.03 -0.04 1.67 1.46 3hi1J1 ARG 480 HD2 -0.04 -0.07 -0.06 -0.04 3.22 3.01 3hi1J1 ARG 480 HD3 -0.71 -0.07 -0.16 -0.04 3.22 2.25 3hi1J1 SER 481 H 0.01 0.53 -0.52 -0.55 8.46 7.94 3hi1J1 SER 481 HA -0.09 0.02 0.32 -0.75 4.49 3.99 3hi1J1 SER 481 HB2 -0.06 -0.03 0.06 -0.04 3.95 3.87 3hi1J1 SER 481 HB3 -0.04 0.09 0.12 -0.04 3.93 4.06 3hi1J1 GLU 482 H 0.18 0.53 -0.19 -0.55 8.60 8.57 3hi1J1 GLU 482 HA 0.31 0.15 0.86 -0.75 4.29 4.86 3hi1J1 GLU 482 HB2 0.20 0.09 0.13 -0.04 2.09 2.46 3hi1J1 GLU 482 HB3 0.21 -0.04 -0.01 -0.04 1.99 2.11 3hi1J1 GLU 482 HG2 0.17 0.02 -0.12 -0.04 2.34 2.38 3hi1J1 GLU 482 HG3 0.18 -0.02 -0.05 -0.04 2.34 2.41 3hi1J1 LEU 483 H 0.19 0.43 -0.00 -0.55 8.37 8.44 3hi1J1 LEU 483 HA 0.24 0.10 0.47 -0.75 4.35 4.42 3hi1J1 LEU 483 HB2 0.08 0.04 -0.06 -0.04 1.64 1.67 3hi1J1 LEU 483 HB3 0.05 -0.07 0.04 -0.04 1.64 1.62 3hi1J1 LEU 483 HG 0.04 0.10 -0.06 -0.04 1.64 1.69 3hi1J1 LEU 483 HD13 -0.09 -0.05 -0.25 -0.04 0.93 0.50 3hi1J1 LEU 483 HD23 -0.22 0.00 -0.11 -0.04 0.89 0.53 3hi1J1 TYR 484 H 0.44 0.24 -0.45 -0.55 8.29 7.97 3hi1J1 TYR 484 HA -0.06 -0.00 0.31 -0.75 4.56 4.06 3hi1J1 TYR 484 HB2 -0.19 -0.08 0.05 -0.04 3.06 2.79 3hi1J1 TYR 484 HB3 -0.14 0.22 0.10 -0.04 2.98 3.12 3hi1J1 TYR 484 HD2 -0.01 -0.04 -0.31 -0.04 7.15 6.74 3hi1J1 TYR 484 HE2 0.03 -0.00 -0.04 -0.04 6.85 6.80 3hi1J1 LYS 485 H -0.65 0.15 -0.37 -0.55 8.42 7.00 3hi1J1 LYS 485 HA -0.39 0.08 0.47 -0.75 4.32 3.73 3hi1J1 LYS 485 HB2 -0.64 0.10 0.22 -0.04 1.87 1.51 3hi1J1 LYS 485 HB3 -0.85 -0.02 0.02 -0.04 1.79 0.90 3hi1J1 LYS 485 HG2 -0.72 0.03 -0.02 -0.04 1.46 0.70 3hi1J1 LYS 485 HG3 -1.00 -0.02 -0.10 -0.04 1.46 0.29 3hi1J1 LYS 485 HD2 -0.40 0.03 0.01 -0.04 1.69 1.29 3hi1J1 LYS 485 HD3 -0.41 -0.02 0.00 -0.04 1.68 1.21 3hi1J1 LYS 485 HE2 -0.03 0.08 0.02 -0.04 2.99 3.01 3hi1J1 LYS 485 HE3 0.03 -0.04 0.00 -0.04 2.99 2.93 3hi1J1 TYR 486 H 0.14 0.57 -0.39 -0.55 8.29 8.05 3hi1J1 TYR 486 HA 0.16 0.43 1.17 -0.75 4.56 5.56 3hi1J1 TYR 486 HB2 0.03 0.01 0.00 -0.04 3.06 3.06 3hi1J1 TYR 486 HB3 0.06 -0.08 -0.02 -0.04 2.98 2.90 3hi1J1 TYR 486 HD2 0.02 0.01 -0.14 -0.04 7.15 7.00 3hi1J1 TYR 486 HE2 0.16 0.10 -0.01 -0.04 6.85 7.05 3hi1J1 LYS 487 H 0.26 0.41 0.28 -0.55 8.42 8.81 3hi1J1 LYS 487 HA 0.09 0.00 0.57 -0.75 4.32 4.23 3hi1J1 LYS 487 HB2 -0.05 0.10 -0.04 -0.04 1.87 1.85 3hi1J1 LYS 487 HB3 -0.20 -0.02 0.00 -0.04 1.79 1.54 3hi1J1 LYS 487 HG2 -0.07 0.07 -0.25 -0.04 1.46 1.17 3hi1J1 LYS 487 HG3 -0.03 -0.09 0.15 -0.04 1.46 1.45 3hi1J1 LYS 487 HD2 -0.12 -0.05 0.04 -0.04 1.69 1.52 3hi1J1 LYS 487 HD3 -0.30 -0.02 0.08 -0.04 1.68 1.40 3hi1J1 LYS 487 HE2 -0.68 -0.02 -0.05 -0.04 2.99 2.20 3hi1J1 LYS 487 HE3 -0.21 -0.06 -0.10 -0.04 2.99 2.58 3hi1J1 VAL 488 H 0.04 0.09 0.18 -0.55 8.24 8.00 3hi1J1 VAL 488 HA 0.07 0.29 1.04 -0.75 4.13 4.78 3hi1J1 VAL 488 HB 0.03 -0.10 0.05 -0.04 2.12 2.06 3hi1J1 VAL 488 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.79 3hi1J1 VAL 488 HG23 0.04 0.01 -0.06 -0.04 0.95 0.89 3hi1J1 VAL 489 H 0.12 0.64 0.41 -0.55 8.24 8.86 3hi1J1 VAL 489 HA 0.11 0.05 0.66 -0.75 4.13 4.19 3hi1J1 VAL 489 HB -0.01 0.05 -0.38 -0.04 2.12 1.75 3hi1J1 VAL 489 HG13 0.01 0.03 -0.21 -0.04 0.97 0.76 3hi1J1 VAL 489 HG23 0.01 -0.00 0.09 -0.04 0.95 1.00 3hi1J1 LYS 490 H 0.07 0.11 0.17 -0.55 8.42 8.21 3hi1J1 LYS 490 HA -0.16 0.14 0.65 -0.75 4.32 4.20 3hi1J1 LYS 490 HB2 0.07 -0.06 0.09 -0.04 1.87 1.93 3hi1J1 LYS 490 HB3 -0.06 -0.05 0.06 -0.04 1.79 1.70 3hi1J1 LYS 490 HG2 -0.33 0.17 0.01 -0.04 1.46 1.27 3hi1J1 LYS 490 HG3 -1.14 0.12 0.17 -0.04 1.46 0.58 3hi1J1 LYS 490 HD2 -0.08 -0.06 0.01 -0.04 1.69 1.52 3hi1J1 LYS 490 HD3 -0.11 -0.06 -0.03 -0.04 1.68 1.44 3hi1J1 LYS 490 HE2 -0.22 0.13 0.06 -0.04 2.99 2.92 3hi1J1 LYS 490 HE3 -0.39 0.02 0.05 -0.04 2.99 2.62 3hi1J1 ILE 491 H -0.36 0.83 0.36 -0.55 8.25 8.54 3hi1J1 ILE 491 HA -0.08 0.11 0.86 -0.75 4.18 4.33 3hi1J1 ILE 491 HB -0.13 -0.01 -0.08 -0.04 1.89 1.63 3hi1J1 ILE 491 HG12 -0.04 -0.01 -0.44 -0.04 1.49 0.96 3hi1J1 ILE 491 HG13 -0.03 -0.00 -0.21 -0.04 1.21 0.93 3hi1J1 ILE 491 HG23 -0.05 -0.02 -0.14 -0.04 0.93 0.68 3hi1J1 ILE 491 HD13 -0.02 0.03 -0.15 -0.04 0.88 0.70 3hi1J1 GLU 492 H -0.06 0.16 0.05 -0.55 8.60 8.20 3hi1J1 GLU 492 HA -0.06 0.06 0.10 -0.75 4.29 3.64 3hi1J1 GLU 492 HB2 -0.05 -0.03 0.11 -0.04 2.09 2.08 3hi1J1 GLU 492 HB3 -0.09 0.35 0.38 -0.04 1.99 2.60 3hi1J1 GLU 492 HG2 -0.06 -0.04 -0.37 -0.04 2.34 1.83 3hi1J1 GLU 492 HG3 -0.04 -0.02 -0.04 -0.04 2.34 2.20