============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 7 0.840 108.449 -7.247 48.511 -99.200 -91.000 TYR 13 0.840 95.986 -3.745 51.932 -99.200 -91.000 HIS 17 0.900 94.431 -1.608 55.319 -99.200 -91.000 PHE 33 1.000 92.083 -15.973 50.106 -99.200 -91.000 PHE 40 1.000 107.734 -8.104 40.717 -99.200 -91.000 PHE 47 1.000 116.375 -12.754 37.831 -99.200 -91.000 PHE 56 1.000 121.555 -18.666 49.268 -99.200 -91.000 TRP 66 1.040 117.182 -30.504 44.590 -99.200 -91.000 TRP6 66 1.020 115.479 -29.876 46.105 -99.200 -91.000 PHE 67 1.000 112.074 -26.413 43.266 -99.200 -91.000 HIS 83 0.900 123.747 -25.152 54.421 -99.200 -91.000 TRP 85 1.040 114.096 -27.355 49.810 -99.200 -91.000 TRP6 85 1.020 111.784 -27.732 50.177 -99.200 -91.000 TYR 93 0.840 108.536 -30.774 59.053 -99.200 -91.000 TYR 111 0.840 107.551 -26.636 45.543 -99.200 -91.000 PHE 113 1.000 107.993 -38.378 41.971 -99.200 -91.000 TRP 115 1.040 107.288 -28.195 38.882 -99.200 -91.000 TRP6 115 1.020 108.961 -26.526 38.880 -99.200 -91.000 HIS 117 0.900 110.190 -38.173 36.911 -99.200 -91.000 PHE 118 1.000 100.399 -34.232 39.150 -99.200 -91.000 TYR 122 0.840 109.240 -39.801 46.494 -99.200 -91.000 TYR 129 0.840 110.882 -41.757 41.432 -99.200 -91.000 TYR 149 0.840 99.669 -17.745 18.717 -99.200 -91.000 TRP 158 1.040 97.120 -29.103 45.541 -99.200 -91.000 TRP6 158 1.020 97.692 -28.149 47.620 -99.200 -91.000 HIS 172 0.900 107.171 -22.849 44.074 -99.200 -91.000 PHE 174 1.000 97.715 -23.468 39.180 -99.200 -91.000 PHE 177 1.000 105.614 -21.142 32.379 -99.200 -91.000 TYR 178 0.840 98.447 -15.196 26.699 -99.200 -91.000 HIS 180 0.900 101.758 -11.489 26.148 -99.200 -91.000 TYR 192 0.840 96.324 -19.140 44.047 -99.200 -91.000 PHE 204 1.000 114.784 -19.093 47.200 -99.200 -91.000 TYR 209 0.840 107.386 -20.460 39.781 -99.200 -91.000 HIS 218 0.900 118.587 -19.411 25.856 -99.200 -91.000 PHE 227 1.000 106.536 -14.132 38.595 -99.200 -91.000 HIS 229 0.900 104.423 -14.336 43.923 -99.200 -91.000 HIS 235 0.900 101.638 -16.142 55.142 -99.200 -91.000 TYR 237 0.840 105.983 -16.433 59.309 -99.200 -91.000 HIS 240 0.900 111.312 -12.214 60.509 -99.200 -91.000 PHE 255 1.000 113.377 -5.590 40.613 -99.200 -91.000 PHE 270 1.000 119.340 -23.163 31.195 -99.200 -91.000 PHE 275 1.000 120.794 -20.002 35.418 -99.200 -91.000 TYR 280 0.840 120.655 -8.402 43.818 -99.200 -91.000 HIS 281 0.900 124.869 -1.910 41.262 -99.200 -91.000 TYR 283 0.840 119.003 0.284 50.395 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ci7A1 ASN 3 HA -0.09 0.12 0.21 -0.75 4.76 4.25 1ci7A1 ASN 3 HB2 -0.15 -0.43 0.24 -0.04 2.88 2.50 1ci7A1 ASN 3 HB3 -0.16 -0.02 0.07 -0.04 2.79 2.64 1ci7A1 ASN 3 HD21 -0.35 0.96 -0.13 -0.04 7.03 7.46 1ci7A1 ASN 3 HD22 -0.18 0.00 -0.28 -0.04 7.74 7.25 1ci7A1 ALA 4 H -0.01 -0.09 0.16 -0.55 8.40 7.91 1ci7A1 ALA 4 HA 0.00 0.04 0.33 -0.75 4.34 3.96 1ci7A1 ALA 4 HB3 -0.00 0.09 0.23 -0.04 1.41 1.68 1ci7A1 GLU 5 H 0.02 0.03 -0.33 -0.55 8.60 7.78 1ci7A1 GLU 5 HA -0.02 0.28 0.68 -0.75 4.29 4.47 1ci7A1 GLU 5 HB2 0.33 -0.14 0.16 -0.04 2.09 2.39 1ci7A1 GLU 5 HB3 0.74 0.09 0.09 -0.04 1.99 2.86 1ci7A1 GLU 5 HG2 0.11 0.05 -0.10 -0.04 2.34 2.37 1ci7A1 GLU 5 HG3 0.34 0.05 0.03 -0.04 2.34 2.72 1ci7A1 GLU 6 H 0.03 0.14 0.15 -0.55 8.60 8.37 1ci7A1 GLU 6 HA 0.38 0.14 0.46 -0.75 4.29 4.52 1ci7A1 GLU 6 HB2 -0.08 0.06 0.11 -0.04 2.09 2.13 1ci7A1 GLU 6 HB3 -0.10 0.09 0.12 -0.04 1.99 2.06 1ci7A1 GLU 6 HG2 0.14 0.08 -0.15 -0.04 2.34 2.37 1ci7A1 GLU 6 HG3 0.12 0.01 0.10 -0.04 2.34 2.53 1ci7A1 GLN 7 H 0.05 -0.25 -0.15 -0.55 8.47 7.57 1ci7A1 GLN 7 HA 0.07 0.19 0.45 -0.75 4.36 4.32 1ci7A1 GLN 7 HB2 0.01 0.06 0.15 -0.04 2.15 2.33 1ci7A1 GLN 7 HB3 0.02 -0.04 0.10 -0.04 2.02 2.06 1ci7A1 GLN 7 HG2 0.01 0.07 0.00 -0.04 2.40 2.43 1ci7A1 GLN 7 HG3 0.01 -0.00 -0.10 -0.04 2.39 2.25 1ci7A1 GLN 7 HE21 0.01 0.12 0.03 -0.04 6.97 7.10 1ci7A1 GLN 7 HE22 0.01 0.00 0.01 -0.04 7.69 7.67 1ci7A1 GLN 8 H 0.05 0.15 -0.71 -0.55 8.47 7.42 1ci7A1 GLN 8 HA -0.01 0.04 0.37 -0.75 4.36 4.00 1ci7A1 GLN 8 HB2 -0.04 0.34 0.21 -0.04 2.15 2.61 1ci7A1 GLN 8 HB3 -0.05 0.02 0.04 -0.04 2.02 1.99 1ci7A1 GLN 8 HG2 -0.12 0.00 0.11 -0.04 2.40 2.35 1ci7A1 GLN 8 HG3 -0.08 -0.04 0.06 -0.04 2.39 2.29 1ci7A1 GLN 8 HE21 -0.05 -0.01 0.03 -0.04 6.97 6.90 1ci7A1 GLN 8 HE22 -0.07 -0.03 0.05 -0.04 7.69 7.60 1ci7A1 TYR 9 H 0.25 0.25 -0.41 -0.55 8.29 7.83 1ci7A1 TYR 9 HA 0.06 0.01 0.37 -0.75 4.56 4.24 1ci7A1 TYR 9 HB2 0.28 -0.01 0.08 -0.04 3.06 3.37 1ci7A1 TYR 9 HB3 0.19 0.14 0.23 -0.04 2.98 3.50 1ci7A1 TYR 9 HD2 0.11 0.04 -0.04 -0.04 7.15 7.22 1ci7A1 TYR 9 HE2 0.06 -0.03 -0.06 -0.04 6.85 6.78 1ci7A1 LEU 10 H 0.19 0.53 -0.07 -0.55 8.37 8.47 1ci7A1 LEU 10 HA -0.16 -0.03 0.33 -0.75 4.35 3.74 1ci7A1 LEU 10 HB2 0.04 0.09 0.22 -0.04 1.64 1.95 1ci7A1 LEU 10 HB3 0.01 0.03 0.05 -0.04 1.64 1.68 1ci7A1 LEU 10 HG 0.20 0.09 0.04 -0.04 1.64 1.93 1ci7A1 LEU 10 HD13 0.04 0.02 0.03 -0.04 0.93 0.98 1ci7A1 LEU 10 HD23 0.11 -0.03 -0.04 -0.04 0.89 0.89 1ci7A1 ASN 11 H -0.01 0.63 -0.19 -0.55 8.53 8.41 1ci7A1 ASN 11 HA -0.01 -0.00 0.44 -0.75 4.76 4.43 1ci7A1 ASN 11 HB2 -0.04 0.21 0.22 -0.04 2.88 3.23 1ci7A1 ASN 11 HB3 -0.03 -0.06 0.03 -0.04 2.79 2.69 1ci7A1 ASN 11 HD21 -0.01 -0.02 -0.01 -0.04 7.03 6.95 1ci7A1 ASN 11 HD22 -0.03 -0.01 0.02 -0.04 7.74 7.67 1ci7A1 LEU 12 H -0.07 0.59 -0.05 -0.55 8.37 8.29 1ci7A1 LEU 12 HA -0.05 -0.05 0.33 -0.75 4.35 3.83 1ci7A1 LEU 12 HB2 -0.10 0.04 0.11 -0.04 1.64 1.65 1ci7A1 LEU 12 HB3 -0.14 0.21 0.17 -0.04 1.64 1.84 1ci7A1 LEU 12 HG -0.09 -0.05 -0.24 -0.04 1.64 1.22 1ci7A1 LEU 12 HD13 -0.08 -0.01 -0.00 -0.04 0.93 0.79 1ci7A1 LEU 12 HD23 -0.07 -0.00 -0.06 -0.04 0.89 0.72 1ci7A1 VAL 13 H -0.22 0.51 -0.37 -0.55 8.24 7.61 1ci7A1 VAL 13 HA -0.12 -0.04 0.39 -0.75 4.13 3.60 1ci7A1 VAL 13 HB -0.17 0.19 0.11 -0.04 2.12 2.21 1ci7A1 VAL 13 HG13 -0.07 -0.04 -0.11 -0.04 0.97 0.72 1ci7A1 VAL 13 HG23 -0.56 0.04 -0.06 -0.04 0.95 0.33 1ci7A1 GLN 14 H -0.04 0.62 0.02 -0.55 8.47 8.52 1ci7A1 GLN 14 HA -0.01 0.00 0.59 -0.75 4.36 4.19 1ci7A1 GLN 14 HB2 -0.01 0.02 0.10 -0.04 2.15 2.22 1ci7A1 GLN 14 HB3 0.01 0.10 0.17 -0.04 2.02 2.26 1ci7A1 GLN 14 HG2 0.02 -0.03 -0.16 -0.04 2.40 2.19 1ci7A1 GLN 14 HG3 0.00 -0.06 0.05 -0.04 2.39 2.34 1ci7A1 GLN 14 HE21 0.01 0.00 -0.03 -0.04 6.97 6.92 1ci7A1 GLN 14 HE22 0.02 -0.02 -0.06 -0.04 7.69 7.59 1ci7A1 TYR 15 H 0.09 0.88 0.01 -0.55 8.29 8.72 1ci7A1 TYR 15 HA -0.06 0.01 0.36 -0.75 4.56 4.11 1ci7A1 TYR 15 HB2 -0.11 0.01 -0.01 -0.04 3.06 2.90 1ci7A1 TYR 15 HB3 -0.09 0.11 0.08 -0.04 2.98 3.04 1ci7A1 TYR 15 HD2 -0.18 0.01 -0.16 -0.04 7.15 6.79 1ci7A1 TYR 15 HE2 -0.27 0.01 -0.06 -0.04 6.85 6.49 1ci7A1 ILE 16 H 0.08 0.52 -0.33 -0.55 8.25 7.97 1ci7A1 ILE 16 HA 0.04 0.03 0.27 -0.75 4.18 3.77 1ci7A1 ILE 16 HB 0.00 0.14 0.02 -0.04 1.89 2.01 1ci7A1 ILE 16 HG12 0.09 -0.06 -0.06 -0.04 1.49 1.41 1ci7A1 ILE 16 HG13 0.09 0.29 0.07 -0.04 1.21 1.61 1ci7A1 ILE 16 HG23 0.02 -0.06 -0.20 -0.04 0.93 0.65 1ci7A1 ILE 16 HD13 -0.02 -0.04 -0.15 -0.04 0.88 0.63 1ci7A1 ILE 17 H -0.01 0.33 -0.34 -0.55 8.25 7.68 1ci7A1 ILE 17 HA -0.01 -0.03 0.37 -0.75 4.18 3.75 1ci7A1 ILE 17 HB -0.01 0.14 0.17 -0.04 1.89 2.15 1ci7A1 ILE 17 HG12 0.00 -0.14 -0.00 -0.04 1.49 1.31 1ci7A1 ILE 17 HG13 -0.01 0.43 0.18 -0.04 1.21 1.77 1ci7A1 ILE 17 HG23 -0.01 -0.03 -0.06 -0.04 0.93 0.79 1ci7A1 ILE 17 HD13 -0.00 -0.04 -0.06 -0.04 0.88 0.73 1ci7A1 ASN 18 H -0.02 0.50 -0.19 -0.55 8.53 8.27 1ci7A1 ASN 18 HA -0.04 0.07 0.59 -0.75 4.76 4.62 1ci7A1 ASN 18 HB2 0.11 0.04 0.10 -0.04 2.88 3.08 1ci7A1 ASN 18 HB3 0.03 -0.05 0.02 -0.04 2.79 2.75 1ci7A1 ASN 18 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.93 1ci7A1 ASN 18 HD22 0.04 -0.02 -0.02 -0.04 7.74 7.70 1ci7A1 HIS 19 H -0.09 0.72 0.05 -0.55 8.41 8.55 1ci7A1 HIS 19 HA -0.17 0.16 0.90 -0.75 4.63 4.76 1ci7A1 HIS 19 HB2 -0.92 0.07 0.03 -0.04 3.26 2.41 1ci7A1 HIS 19 HB3 -0.29 -0.06 0.12 -0.04 3.20 2.93 1ci7A1 HIS 19 HD2 -0.10 -0.02 0.00 -0.04 6.97 6.81 1ci7A1 HIS 19 HE1 -0.11 -0.03 -0.06 -0.04 7.75 7.50 1ci7A1 GLY 20 H -0.04 0.23 -0.31 -0.55 8.43 7.76 1ci7A1 GLY 20 HA2 0.02 -0.08 0.17 -0.51 4.01 3.61 1ci7A1 GLY 20 HA3 -0.00 0.11 0.25 -0.51 4.01 3.85 1ci7A1 GLU 21 H 0.02 -0.03 0.21 -0.55 8.60 8.24 1ci7A1 GLU 21 HA -0.01 0.17 0.95 -0.75 4.29 4.64 1ci7A1 GLU 21 HB2 0.02 0.11 0.03 -0.04 2.09 2.20 1ci7A1 GLU 21 HB3 0.02 0.12 0.27 -0.04 1.99 2.36 1ci7A1 GLU 21 HG2 -0.00 0.01 -0.31 -0.04 2.34 1.99 1ci7A1 GLU 21 HG3 -0.00 -0.00 0.02 -0.04 2.34 2.32 1ci7A1 ASP 22 H -0.01 0.17 0.16 -0.55 8.40 8.17 1ci7A1 ASP 22 HA -0.01 0.20 0.62 -0.75 4.63 4.69 1ci7A1 ASP 22 HB2 -0.01 0.01 0.17 -0.04 2.71 2.84 1ci7A1 ASP 22 HB3 -0.01 -0.01 0.17 -0.04 2.70 2.81 1ci7A1 ARG 23 H -0.01 0.57 0.42 -0.55 8.46 8.88 1ci7A1 ARG 23 HA -0.01 0.24 1.00 -0.75 4.34 4.82 1ci7A1 ARG 23 HB2 -0.03 -0.10 -0.07 -0.04 1.90 1.66 1ci7A1 ARG 23 HB3 -0.03 0.07 -0.12 -0.04 1.80 1.68 1ci7A1 ARG 23 HG2 -0.02 0.09 -0.12 -0.04 1.67 1.58 1ci7A1 ARG 23 HG3 -0.01 0.09 -0.29 -0.04 1.67 1.41 1ci7A1 ARG 23 HD2 -0.04 -0.07 -0.09 -0.04 3.22 2.98 1ci7A1 ARG 23 HD3 -0.04 0.01 -0.07 -0.04 3.22 3.07 1ci7A1 PRO 24 HA 0.01 0.02 0.49 -0.51 4.44 4.45 1ci7A1 PRO 24 HB2 0.00 0.01 0.06 -0.04 2.28 2.32 1ci7A1 PRO 24 HB3 0.01 0.05 0.05 -0.04 2.02 2.09 1ci7A1 PRO 24 HG2 -0.00 0.05 0.07 -0.04 2.03 2.11 1ci7A1 PRO 24 HG3 0.00 0.04 0.03 -0.04 2.03 2.06 1ci7A1 PRO 24 HD2 -0.01 0.10 0.20 -0.04 3.68 3.93 1ci7A1 PRO 24 HD3 -0.01 0.22 0.24 -0.04 3.65 4.07 1ci7A1 ASP 25 H 0.04 0.16 -0.04 -0.55 8.40 8.01 1ci7A1 ASP 25 HA 0.03 0.12 0.64 -0.75 4.63 4.67 1ci7A1 ASP 25 HB2 0.10 0.03 -0.04 -0.04 2.71 2.76 1ci7A1 ASP 25 HB3 0.12 0.09 -0.25 -0.04 2.70 2.62 1ci7A1 ARG 26 H 0.05 0.18 0.12 -0.55 8.46 8.25 1ci7A1 ARG 26 HA 0.04 0.13 0.36 -0.75 4.34 4.12 1ci7A1 ARG 26 HB2 0.04 0.06 0.09 -0.04 1.90 2.05 1ci7A1 ARG 26 HB3 0.06 -0.06 0.15 -0.04 1.80 1.91 1ci7A1 ARG 26 HG2 0.07 0.03 -0.28 -0.04 1.67 1.45 1ci7A1 ARG 26 HG3 0.06 0.03 -0.03 -0.04 1.67 1.69 1ci7A1 ARG 26 HD2 0.09 -0.00 -0.01 -0.04 3.22 3.25 1ci7A1 ARG 26 HD3 0.09 -0.13 -0.09 -0.04 3.22 3.05 1ci7A1 THR 27 H 0.10 0.07 -0.10 -0.55 8.28 7.80 1ci7A1 THR 27 HA 0.08 0.06 0.35 -0.75 4.39 4.13 1ci7A1 THR 27 HB 0.03 -0.06 -0.04 -0.04 4.32 4.21 1ci7A1 THR 27 HG23 0.10 0.00 0.11 -0.04 1.22 1.39 1ci7A1 GLY 28 H 0.07 0.13 -1.11 -0.55 8.43 6.97 1ci7A1 GLY 28 HA2 0.04 0.10 0.26 -0.51 4.01 3.90 1ci7A1 GLY 28 HA3 0.03 0.14 0.85 -0.51 4.01 4.53 1ci7A1 THR 29 H 0.05 0.11 -0.16 -0.55 8.28 7.72 1ci7A1 THR 29 HA 0.04 0.12 0.70 -0.75 4.39 4.49 1ci7A1 THR 29 HB 0.04 0.01 -0.01 -0.04 4.32 4.32 1ci7A1 THR 29 HG23 -0.01 0.01 -0.00 -0.04 1.22 1.17 1ci7A1 GLY 30 H 0.05 0.10 0.22 -0.55 8.43 8.26 1ci7A1 GLY 30 HA2 0.04 0.11 0.49 -0.51 4.01 4.14 1ci7A1 GLY 30 HA3 0.04 0.01 0.42 -0.51 4.01 3.97 1ci7A1 THR 31 H 0.01 0.52 0.39 -0.55 8.28 8.65 1ci7A1 THR 31 HA -0.03 -0.01 1.20 -0.75 4.39 4.79 1ci7A1 THR 31 HB -0.17 0.03 0.15 -0.04 4.32 4.29 1ci7A1 THR 31 HG23 -0.25 -0.01 -0.21 -0.04 1.22 0.71 1ci7A1 LEU 32 H -0.04 0.48 0.37 -0.55 8.37 8.63 1ci7A1 LEU 32 HA -0.00 0.40 0.67 -0.75 4.35 4.66 1ci7A1 LEU 32 HB2 -0.00 -0.09 0.07 -0.04 1.64 1.58 1ci7A1 LEU 32 HB3 0.00 0.07 -0.07 -0.04 1.64 1.61 1ci7A1 LEU 32 HG -0.00 -0.13 -0.32 -0.04 1.64 1.15 1ci7A1 LEU 32 HD13 -0.01 0.03 -0.08 -0.04 0.93 0.84 1ci7A1 LEU 32 HD23 -0.01 0.06 -0.29 -0.04 0.89 0.61 1ci7A1 SER 33 H 0.02 0.50 0.34 -0.55 8.46 8.76 1ci7A1 SER 33 HA 0.09 0.25 1.43 -0.75 4.49 5.51 1ci7A1 SER 33 HB2 0.08 0.10 -0.15 -0.04 3.95 3.93 1ci7A1 SER 33 HB3 -0.01 -0.11 -0.19 -0.04 3.93 3.58 1ci7A1 VAL 34 H 0.10 0.89 0.41 -0.55 8.24 9.10 1ci7A1 VAL 34 HA 0.13 0.16 0.86 -0.75 4.13 4.53 1ci7A1 VAL 34 HB 0.11 -0.03 0.09 -0.04 2.12 2.24 1ci7A1 VAL 34 HG13 0.19 0.01 -0.19 -0.04 0.97 0.94 1ci7A1 VAL 34 HG23 0.16 0.01 -0.26 -0.04 0.95 0.81 1ci7A1 PHE 35 H 0.22 0.18 0.13 -0.55 8.34 8.31 1ci7A1 PHE 35 HA 0.02 0.25 1.08 -0.75 4.62 5.22 1ci7A1 PHE 35 HB2 0.02 -0.04 -0.00 -0.04 3.15 3.08 1ci7A1 PHE 35 HB3 0.03 0.00 0.12 -0.04 3.06 3.17 1ci7A1 PHE 35 HD2 0.02 -0.02 -0.21 -0.04 7.28 7.03 1ci7A1 PHE 35 HE2 0.05 -0.05 -0.03 -0.04 7.38 7.31 1ci7A1 PHE 35 HZ 0.06 -0.02 -0.03 -0.04 7.32 7.29 1ci7A1 ALA 36 H -0.54 0.54 0.38 -0.55 8.40 8.24 1ci7A1 ALA 36 HA -0.42 0.21 0.51 -0.75 4.34 3.89 1ci7A1 ALA 36 HB3 -0.48 0.02 0.09 -0.04 1.41 1.01 1ci7A1 PRO 37 HA -0.17 0.05 0.39 -0.51 4.44 4.20 1ci7A1 PRO 37 HB2 -0.17 0.04 -0.03 -0.04 2.28 2.08 1ci7A1 PRO 37 HB3 -0.10 -0.00 -0.02 -0.04 2.02 1.86 1ci7A1 PRO 37 HG2 -0.15 -0.01 -0.11 -0.04 2.03 1.72 1ci7A1 PRO 37 HG3 -0.09 -0.04 -0.02 -0.04 2.03 1.84 1ci7A1 PRO 37 HD2 -0.19 0.31 0.26 -0.04 3.68 4.02 1ci7A1 PRO 37 HD3 -0.09 0.16 -0.09 -0.04 3.65 3.59 1ci7A1 SER 38 H -0.21 0.05 0.11 -0.55 8.46 7.87 1ci7A1 SER 38 HA -0.13 0.13 0.46 -0.75 4.49 4.19 1ci7A1 SER 38 HB2 -0.12 0.06 0.04 -0.04 3.95 3.88 1ci7A1 SER 38 HB3 -0.14 -0.02 0.12 -0.04 3.93 3.85 1ci7A1 PRO 39 HA -0.13 0.08 0.51 -0.51 4.44 4.39 1ci7A1 PRO 39 HB2 -0.12 -0.01 -0.23 -0.04 2.28 1.87 1ci7A1 PRO 39 HB3 -0.10 -0.07 0.03 -0.04 2.02 1.84 1ci7A1 PRO 39 HG2 -0.10 -0.01 0.02 -0.04 2.03 1.90 1ci7A1 PRO 39 HG3 -0.09 0.01 0.02 -0.04 2.03 1.93 1ci7A1 PRO 39 HD2 -0.10 0.02 0.23 -0.04 3.68 3.79 1ci7A1 PRO 39 HD3 -0.10 0.19 0.23 -0.04 3.65 3.93 1ci7A1 LEU 40 H -0.10 0.34 0.29 -0.55 8.37 8.34 1ci7A1 LEU 40 HA -0.20 0.11 0.69 -0.75 4.35 4.20 1ci7A1 LEU 40 HB2 0.14 -0.10 0.13 -0.04 1.64 1.77 1ci7A1 LEU 40 HB3 -0.25 0.04 0.03 -0.04 1.64 1.42 1ci7A1 LEU 40 HG -0.04 0.03 0.05 -0.04 1.64 1.63 1ci7A1 LEU 40 HD13 0.31 -0.03 -0.04 -0.04 0.93 1.14 1ci7A1 LEU 40 HD23 -0.05 0.03 -0.14 -0.04 0.89 0.69 1ci7A1 LYS 41 H -0.36 0.18 0.25 -0.55 8.42 7.94 1ci7A1 LYS 41 HA -0.20 0.33 1.14 -0.75 4.32 4.83 1ci7A1 LYS 41 HB2 -0.17 -0.02 0.09 -0.04 1.87 1.73 1ci7A1 LYS 41 HB3 -0.10 -0.03 -0.01 -0.04 1.79 1.61 1ci7A1 LYS 41 HG2 -0.13 0.00 -0.13 -0.04 1.46 1.16 1ci7A1 LYS 41 HG3 -0.15 0.08 -0.22 -0.04 1.46 1.13 1ci7A1 LYS 41 HD2 -0.09 0.02 -0.08 -0.04 1.69 1.49 1ci7A1 LYS 41 HD3 -0.09 -0.01 -0.05 -0.04 1.68 1.49 1ci7A1 LYS 41 HE2 -0.07 -0.00 -0.11 -0.04 2.99 2.77 1ci7A1 LYS 41 HE3 -0.06 -0.00 -0.08 -0.04 2.99 2.81 1ci7A1 PHE 42 H 0.10 0.66 0.40 -0.55 8.34 8.95 1ci7A1 PHE 42 HA 0.11 0.06 0.77 -0.75 4.62 4.81 1ci7A1 PHE 42 HB2 0.24 0.00 0.08 -0.04 3.15 3.44 1ci7A1 PHE 42 HB3 0.05 0.06 0.02 -0.04 3.06 3.16 1ci7A1 PHE 42 HD2 0.25 -0.00 -0.10 -0.04 7.28 7.38 1ci7A1 PHE 42 HE2 0.23 -0.12 -0.28 -0.04 7.38 7.17 1ci7A1 PHE 42 HZ 0.15 -0.05 -0.09 -0.04 7.32 7.29 1ci7A1 SER 43 H 0.21 0.16 0.15 -0.55 8.46 8.43 1ci7A1 SER 43 HA 0.12 0.07 0.89 -0.75 4.49 4.82 1ci7A1 SER 43 HB2 0.08 -0.00 0.07 -0.04 3.95 4.05 1ci7A1 SER 43 HB3 0.12 0.05 0.11 -0.04 3.93 4.17 1ci7A1 LEU 44 H 0.11 0.71 0.45 -0.55 8.37 9.09 1ci7A1 LEU 44 HA 0.10 0.37 0.74 -0.75 4.35 4.81 1ci7A1 LEU 44 HB2 0.12 0.07 -0.26 -0.04 1.64 1.54 1ci7A1 LEU 44 HB3 0.10 -0.06 -0.02 -0.04 1.64 1.62 1ci7A1 LEU 44 HG 0.11 0.06 -0.01 -0.04 1.64 1.76 1ci7A1 LEU 44 HD13 0.10 0.03 -0.34 -0.04 0.93 0.68 1ci7A1 LEU 44 HD23 0.13 -0.03 -0.16 -0.04 0.89 0.79 1ci7A1 ARG 45 H 0.08 -0.08 0.05 -0.55 8.46 7.95 1ci7A1 ARG 45 HA 0.06 0.08 0.47 -0.75 4.34 4.19 1ci7A1 ARG 45 HB2 0.05 -0.07 0.10 -0.04 1.90 1.95 1ci7A1 ARG 45 HB3 0.04 0.02 -0.00 -0.04 1.80 1.82 1ci7A1 ARG 45 HG2 0.04 0.13 0.12 -0.04 1.67 1.92 1ci7A1 ARG 45 HG3 0.03 -0.05 0.05 -0.04 1.67 1.65 1ci7A1 ARG 45 HD2 0.01 0.03 0.03 -0.04 3.22 3.25 1ci7A1 ARG 45 HD3 0.01 -0.02 0.01 -0.04 3.22 3.18 1ci7A1 ASN 46 H 0.04 0.13 0.23 -0.55 8.53 8.39 1ci7A1 ASN 46 HA 0.04 0.01 0.39 -0.75 4.76 4.45 1ci7A1 ASN 46 HB2 0.05 0.21 0.08 -0.04 2.88 3.18 1ci7A1 ASN 46 HB3 0.04 -0.00 0.20 -0.04 2.79 2.98 1ci7A1 ASN 46 HD21 0.03 -0.01 -0.08 -0.04 7.03 6.93 1ci7A1 ASN 46 HD22 0.04 0.08 -0.18 -0.04 7.74 7.63 1ci7A1 LYS 47 H 0.05 0.15 0.04 -0.55 8.42 8.11 1ci7A1 LYS 47 HA 0.05 0.08 0.38 -0.75 4.32 4.07 1ci7A1 LYS 47 HB2 0.04 0.17 -0.08 -0.04 1.87 1.95 1ci7A1 LYS 47 HB3 0.02 -0.02 0.16 -0.04 1.79 1.92 1ci7A1 LYS 47 HG2 0.03 0.06 0.09 -0.04 1.46 1.59 1ci7A1 LYS 47 HG3 0.03 -0.14 -0.14 -0.04 1.46 1.17 1ci7A1 LYS 47 HD2 0.02 -0.03 -0.03 -0.04 1.69 1.61 1ci7A1 LYS 47 HD3 0.03 0.02 -0.12 -0.04 1.68 1.57 1ci7A1 LYS 47 HE2 0.01 -0.02 -0.11 -0.04 2.99 2.83 1ci7A1 LYS 47 HE3 0.01 0.00 -0.00 -0.04 2.99 2.96 1ci7A1 THR 48 H 0.08 0.21 -0.92 -0.55 8.28 7.10 1ci7A1 THR 48 HA 0.11 0.16 0.44 -0.75 4.39 4.34 1ci7A1 THR 48 HB 0.16 -0.09 -0.06 -0.04 4.32 4.29 1ci7A1 THR 48 HG23 0.10 0.02 -0.01 -0.04 1.22 1.30 1ci7A1 PHE 49 H 0.14 0.56 0.09 -0.55 8.34 8.57 1ci7A1 PHE 49 HA -0.17 0.22 0.81 -0.75 4.62 4.73 1ci7A1 PHE 49 HB2 -0.10 0.07 -0.29 -0.04 3.15 2.78 1ci7A1 PHE 49 HB3 -0.16 -0.03 -0.18 -0.04 3.06 2.66 1ci7A1 PHE 49 HD2 -0.22 0.07 -0.14 -0.04 7.28 6.95 1ci7A1 PHE 49 HE2 -0.27 -0.08 -0.21 -0.04 7.38 6.78 1ci7A1 PHE 49 HZ -0.30 -0.06 -0.14 -0.04 7.32 6.78 1ci7A1 PRO 50 HA -2.73 0.04 0.26 -0.51 4.44 1.49 1ci7A1 PRO 50 HB2 -1.05 -0.04 0.11 -0.04 2.28 1.26 1ci7A1 PRO 50 HB3 -0.99 -0.03 0.05 -0.04 2.02 1.01 1ci7A1 PRO 50 HG2 -0.37 0.03 -0.04 -0.04 2.03 1.61 1ci7A1 PRO 50 HG3 -0.16 0.09 -0.07 -0.04 2.03 1.85 1ci7A1 PRO 50 HD2 -0.84 0.06 -0.04 -0.04 3.68 2.82 1ci7A1 PRO 50 HD3 -0.17 0.36 0.09 -0.04 3.65 3.88 1ci7A1 LEU 51 H -0.84 0.89 0.31 -0.55 8.37 8.18 1ci7A1 LEU 51 HA -0.60 0.03 0.71 -0.75 4.35 3.73 1ci7A1 LEU 51 HB2 -0.51 -0.01 -0.06 -0.04 1.64 1.02 1ci7A1 LEU 51 HB3 -0.45 0.06 0.20 -0.04 1.64 1.41 1ci7A1 LEU 51 HG -0.79 0.10 -0.03 -0.04 1.64 0.88 1ci7A1 LEU 51 HD13 -0.30 -0.04 -0.02 -0.04 0.93 0.53 1ci7A1 LEU 51 HD23 -1.02 -0.02 0.01 -0.04 0.89 -0.18 1ci7A1 LEU 52 H -0.19 0.00 0.04 -0.55 8.37 7.67 1ci7A1 LEU 52 HA 0.52 -0.05 0.30 -0.75 4.35 4.36 1ci7A1 LEU 52 HB2 0.00 0.05 0.04 -0.04 1.64 1.69 1ci7A1 LEU 52 HB3 0.00 -0.07 0.03 -0.04 1.64 1.57 1ci7A1 LEU 52 HG -0.13 -0.02 0.04 -0.04 1.64 1.49 1ci7A1 LEU 52 HD13 -0.28 -0.02 0.14 -0.04 0.93 0.73 1ci7A1 LEU 52 HD23 -0.65 0.01 0.00 -0.04 0.89 0.20 1ci7A1 THR 53 H 0.16 0.01 0.20 -0.55 8.28 8.10 1ci7A1 THR 53 HA 0.23 0.29 1.04 -0.75 4.39 5.19 1ci7A1 THR 53 HB 0.14 0.08 -0.01 -0.04 4.32 4.49 1ci7A1 THR 53 HG23 0.27 0.05 -0.21 -0.04 1.22 1.29 1ci7A1 THR 54 H 0.10 0.03 0.08 -0.55 8.28 7.94 1ci7A1 THR 54 HA 0.02 0.14 0.48 -0.75 4.39 4.27 1ci7A1 THR 54 HB -0.13 0.09 0.13 -0.04 4.32 4.37 1ci7A1 THR 54 HG23 -0.02 0.00 -0.14 -0.04 1.22 1.03 1ci7A1 LYS 55 H 0.11 0.06 -0.84 -0.55 8.42 7.20 1ci7A1 LYS 55 HA 0.06 0.25 0.40 -0.75 4.32 4.28 1ci7A1 LYS 55 HB2 0.04 -0.03 -0.40 -0.04 1.87 1.45 1ci7A1 LYS 55 HB3 0.06 -0.02 -0.09 -0.04 1.79 1.70 1ci7A1 LYS 55 HG2 0.03 -0.12 0.11 -0.04 1.46 1.44 1ci7A1 LYS 55 HG3 0.01 0.13 0.12 -0.04 1.46 1.69 1ci7A1 LYS 55 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 1ci7A1 LYS 55 HD3 0.03 0.00 -0.01 -0.04 1.68 1.66 1ci7A1 LYS 55 HE2 -0.01 0.01 0.04 -0.04 2.99 2.98 1ci7A1 LYS 55 HE3 0.04 0.02 0.00 -0.04 2.99 3.01 1ci7A1 ARG 56 H 0.05 0.36 -0.03 -0.55 8.46 8.28 1ci7A1 ARG 56 HA 0.05 0.05 0.35 -0.75 4.34 4.03 1ci7A1 ARG 56 HB2 0.01 0.16 -0.01 -0.04 1.90 2.02 1ci7A1 ARG 56 HB3 0.04 -0.15 0.04 -0.04 1.80 1.69 1ci7A1 ARG 56 HG2 0.04 -0.07 -0.06 -0.04 1.67 1.53 1ci7A1 ARG 56 HG3 0.12 -0.02 -0.21 -0.04 1.67 1.52 1ci7A1 ARG 56 HD2 -0.08 0.07 0.05 -0.04 3.22 3.22 1ci7A1 ARG 56 HD3 -0.01 0.01 -0.02 -0.04 3.22 3.16 1ci7A1 VAL 57 H 0.36 0.19 0.25 -0.55 8.24 8.49 1ci7A1 VAL 57 HA 0.16 0.20 0.96 -0.75 4.13 4.70 1ci7A1 VAL 57 HB 0.10 -0.03 0.10 -0.04 2.12 2.24 1ci7A1 VAL 57 HG13 0.03 -0.03 -0.12 -0.04 0.97 0.82 1ci7A1 VAL 57 HG23 0.11 0.08 -0.05 -0.04 0.95 1.05 1ci7A1 PHE 58 H 0.33 0.22 0.09 -0.55 8.34 8.42 1ci7A1 PHE 58 HA 0.07 0.16 0.42 -0.75 4.62 4.53 1ci7A1 PHE 58 HB2 0.12 0.11 0.15 -0.04 3.15 3.49 1ci7A1 PHE 58 HB3 0.27 -0.01 0.19 -0.04 3.06 3.46 1ci7A1 PHE 58 HD2 0.08 0.06 0.06 -0.04 7.28 7.44 1ci7A1 PHE 58 HE2 0.04 0.00 0.05 -0.04 7.38 7.43 1ci7A1 PHE 58 HZ 0.04 0.18 0.01 -0.04 7.32 7.51 1ci7A1 ILE 59 H 0.12 0.82 -0.25 -0.55 8.25 8.39 1ci7A1 ILE 59 HA -0.19 0.01 0.25 -0.75 4.18 3.50 1ci7A1 ILE 59 HB -0.08 0.10 0.11 -0.04 1.89 1.98 1ci7A1 ILE 59 HG12 -0.08 0.10 -0.04 -0.04 1.49 1.42 1ci7A1 ILE 59 HG13 -0.13 -0.03 -0.19 -0.04 1.21 0.81 1ci7A1 ILE 59 HG23 0.06 0.04 0.05 -0.04 0.93 1.03 1ci7A1 ILE 59 HD13 -0.07 -0.01 -0.04 -0.04 0.88 0.72 1ci7A1 ARG 60 H 0.05 0.13 -0.30 -0.55 8.46 7.79 1ci7A1 ARG 60 HA -0.15 0.06 0.39 -0.75 4.34 3.87 1ci7A1 ARG 60 HB2 0.08 0.05 0.09 -0.04 1.90 2.08 1ci7A1 ARG 60 HB3 0.13 -0.02 0.04 -0.04 1.80 1.91 1ci7A1 ARG 60 HG2 -0.07 -0.03 -0.08 -0.04 1.67 1.45 1ci7A1 ARG 60 HG3 -0.02 -0.00 0.06 -0.04 1.67 1.67 1ci7A1 ARG 60 HD2 0.10 0.02 0.01 -0.04 3.22 3.31 1ci7A1 ARG 60 HD3 0.20 0.01 -0.02 -0.04 3.22 3.37 1ci7A1 GLY 61 H -1.47 0.26 -0.05 -0.55 8.43 6.62 1ci7A1 GLY 61 HA2 -0.79 0.00 0.44 -0.51 4.01 3.15 1ci7A1 GLY 61 HA3 -1.37 -0.03 0.35 -0.51 4.01 2.46 1ci7A1 VAL 62 H -0.51 0.42 -0.25 -0.55 8.24 7.35 1ci7A1 VAL 62 HA -0.78 -0.04 0.24 -0.75 4.13 2.80 1ci7A1 VAL 62 HB -0.43 0.18 0.09 -0.04 2.12 1.92 1ci7A1 VAL 62 HG13 -0.49 -0.02 -0.16 -0.04 0.97 0.26 1ci7A1 VAL 62 HG23 -1.13 0.00 -0.14 -0.04 0.95 -0.36 1ci7A1 ILE 63 H -0.35 0.72 -0.05 -0.55 8.25 8.02 1ci7A1 ILE 63 HA -0.45 0.03 0.38 -0.75 4.18 3.39 1ci7A1 ILE 63 HB -0.28 0.01 0.18 -0.04 1.89 1.76 1ci7A1 ILE 63 HG12 -0.79 -0.02 -0.05 -0.04 1.49 0.58 1ci7A1 ILE 63 HG13 -0.37 0.13 -0.00 -0.04 1.21 0.92 1ci7A1 ILE 63 HG23 -0.49 -0.01 -0.20 -0.04 0.93 0.19 1ci7A1 ILE 63 HD13 -0.28 0.00 -0.06 -0.04 0.88 0.50 1ci7A1 GLU 64 H -0.21 0.54 0.06 -0.55 8.60 8.44 1ci7A1 GLU 64 HA -0.06 -0.03 0.33 -0.75 4.29 3.77 1ci7A1 GLU 64 HB2 -0.14 0.16 0.18 -0.04 2.09 2.24 1ci7A1 GLU 64 HB3 -0.16 -0.00 0.05 -0.04 1.99 1.84 1ci7A1 GLU 64 HG2 -0.09 0.03 -0.00 -0.04 2.34 2.24 1ci7A1 GLU 64 HG3 -0.06 -0.05 0.02 -0.04 2.34 2.20 1ci7A1 GLU 65 H -0.15 0.59 -0.35 -0.55 8.60 8.15 1ci7A1 GLU 65 HA -0.04 -0.03 0.37 -0.75 4.29 3.84 1ci7A1 GLU 65 HB2 0.01 0.02 0.04 -0.04 2.09 2.13 1ci7A1 GLU 65 HB3 -0.02 0.13 0.01 -0.04 1.99 2.07 1ci7A1 GLU 65 HG2 -0.75 -0.03 -0.07 -0.04 2.34 1.45 1ci7A1 GLU 65 HG3 0.11 -0.07 -0.03 -0.04 2.34 2.32 1ci7A1 LEU 66 H -0.11 0.60 -0.06 -0.55 8.37 8.24 1ci7A1 LEU 66 HA 0.24 -0.00 0.48 -0.75 4.35 4.31 1ci7A1 LEU 66 HB2 -0.11 0.16 0.19 -0.04 1.64 1.85 1ci7A1 LEU 66 HB3 -0.06 -0.00 0.01 -0.04 1.64 1.55 1ci7A1 LEU 66 HG 0.05 0.02 0.05 -0.04 1.64 1.72 1ci7A1 LEU 66 HD13 -0.10 -0.02 -0.04 -0.04 0.93 0.72 1ci7A1 LEU 66 HD23 0.35 -0.02 0.02 -0.04 0.89 1.20 1ci7A1 LEU 67 H 0.01 0.50 -0.09 -0.55 8.37 8.23 1ci7A1 LEU 67 HA 0.14 0.05 0.33 -0.75 4.35 4.13 1ci7A1 LEU 67 HB2 0.08 0.10 0.07 -0.04 1.64 1.85 1ci7A1 LEU 67 HB3 0.14 0.02 -0.06 -0.04 1.64 1.70 1ci7A1 LEU 67 HG 0.23 0.01 -0.15 -0.04 1.64 1.69 1ci7A1 LEU 67 HD13 0.06 0.01 -0.16 -0.04 0.93 0.79 1ci7A1 LEU 67 HD23 0.21 -0.01 -0.30 -0.04 0.89 0.75 1ci7A1 TRP 68 H 0.20 0.46 -0.30 -0.55 7.97 7.78 1ci7A1 TRP 68 HA -0.01 -0.01 0.33 -0.75 4.62 4.17 1ci7A1 TRP 68 HB2 -0.10 0.05 0.06 -0.04 3.23 3.19 1ci7A1 TRP 68 HB3 -0.27 0.19 0.16 -0.04 3.23 3.27 1ci7A1 TRP 68 HD1 -0.03 0.02 -0.02 -0.04 7.22 7.15 1ci7A1 TRP 68 HE1 -0.06 -0.06 -0.17 -0.04 10.20 9.87 1ci7A1 TRP 68 HE3 -0.67 0.14 -0.03 -0.04 7.59 6.99 1ci7A1 TRP 68 HZ2 -0.27 -0.14 -0.68 -0.04 7.44 6.32 1ci7A1 TRP 68 HZ3 -0.63 -0.02 -0.10 -0.04 7.13 6.34 1ci7A1 TRP 68 HH2 -1.29 -0.01 -0.16 -0.04 7.19 5.70 1ci7A1 PHE 69 H 0.07 0.56 -0.19 -0.55 8.34 8.22 1ci7A1 PHE 69 HA -0.51 -0.09 0.40 -0.75 4.62 3.66 1ci7A1 PHE 69 HB2 -0.01 0.20 0.27 -0.04 3.15 3.57 1ci7A1 PHE 69 HB3 -0.52 -0.03 -0.07 -0.04 3.06 2.40 1ci7A1 PHE 69 HD2 -0.31 -0.03 -0.01 -0.04 7.28 6.89 1ci7A1 PHE 69 HE2 0.05 -0.04 -0.07 -0.04 7.38 7.27 1ci7A1 PHE 69 HZ 0.13 -0.05 -0.06 -0.04 7.32 7.30 1ci7A1 ILE 70 H 0.26 0.74 -0.01 -0.55 8.25 8.69 1ci7A1 ILE 70 HA 0.29 -0.02 0.33 -0.75 4.18 4.03 1ci7A1 ILE 70 HB 0.17 0.09 0.15 -0.04 1.89 2.26 1ci7A1 ILE 70 HG12 0.29 -0.07 0.00 -0.04 1.49 1.67 1ci7A1 ILE 70 HG13 0.28 0.32 0.08 -0.04 1.21 1.85 1ci7A1 ILE 70 HG23 0.15 0.05 -0.10 -0.04 0.93 0.99 1ci7A1 ILE 70 HD13 0.12 -0.02 -0.08 -0.04 0.88 0.85 1ci7A1 ARG 71 H 0.10 0.54 -0.25 -0.55 8.46 8.28 1ci7A1 ARG 71 HA 0.08 0.03 0.38 -0.75 4.34 4.08 1ci7A1 ARG 71 HB2 0.06 0.01 0.10 -0.04 1.90 2.03 1ci7A1 ARG 71 HB3 0.09 -0.07 0.09 -0.04 1.80 1.86 1ci7A1 ARG 71 HG2 0.11 -0.02 0.03 -0.04 1.67 1.75 1ci7A1 ARG 71 HG3 0.12 0.28 0.11 -0.04 1.67 2.14 1ci7A1 ARG 71 HD2 0.19 -0.08 -0.13 -0.04 3.22 3.15 1ci7A1 ARG 71 HD3 0.13 -0.06 -0.03 -0.04 3.22 3.21 1ci7A1 GLY 72 H -0.03 0.56 -0.59 -0.55 8.43 7.83 1ci7A1 GLY 72 HA2 -0.06 -0.10 0.06 -0.51 4.01 3.40 1ci7A1 GLY 72 HA3 0.04 0.06 0.34 -0.51 4.01 3.95 1ci7A1 GLU 73 H -0.26 0.32 -0.13 -0.55 8.60 7.99 1ci7A1 GLU 73 HA 0.00 0.14 0.53 -0.75 4.29 4.20 1ci7A1 GLU 73 HB2 -0.62 0.02 0.04 -0.04 2.09 1.50 1ci7A1 GLU 73 HB3 0.18 -0.17 0.08 -0.04 1.99 2.04 1ci7A1 GLU 73 HG2 0.10 0.07 -0.05 -0.04 2.34 2.42 1ci7A1 GLU 73 HG3 0.04 0.05 -0.08 -0.04 2.34 2.30 1ci7A1 THR 74 H 0.06 0.18 0.23 -0.55 8.28 8.20 1ci7A1 THR 74 HA -0.35 0.19 0.87 -0.75 4.39 4.35 1ci7A1 THR 74 HB -0.07 0.01 0.23 -0.04 4.32 4.44 1ci7A1 THR 74 HG23 -0.06 0.03 -0.18 -0.04 1.22 0.96 1ci7A1 ASP 75 H 0.30 0.11 0.10 -0.55 8.40 8.36 1ci7A1 ASP 75 HA 0.17 0.41 1.15 -0.75 4.63 5.60 1ci7A1 ASP 75 HB2 0.13 0.11 0.08 -0.04 2.71 2.98 1ci7A1 ASP 75 HB3 0.19 0.00 0.22 -0.04 2.70 3.08 1ci7A1 SER 76 H 0.13 0.68 0.32 -0.55 8.46 9.04 1ci7A1 SER 76 HA -0.24 0.01 0.25 -0.75 4.49 3.76 1ci7A1 SER 76 HB2 0.05 -0.10 -0.19 -0.04 3.95 3.66 1ci7A1 SER 76 HB3 0.11 0.10 0.01 -0.04 3.93 4.11 1ci7A1 LEU 77 H 0.04 0.17 -0.24 -0.55 8.37 7.79 1ci7A1 LEU 77 HA -0.02 0.06 0.31 -0.75 4.35 3.95 1ci7A1 LEU 77 HB2 0.03 0.01 -0.01 -0.04 1.64 1.63 1ci7A1 LEU 77 HB3 0.01 0.06 -0.01 -0.04 1.64 1.66 1ci7A1 LEU 77 HG 0.04 -0.05 0.06 -0.04 1.64 1.65 1ci7A1 LEU 77 HD13 0.03 0.04 -0.02 -0.04 0.93 0.94 1ci7A1 LEU 77 HD23 0.03 0.01 -0.04 -0.04 0.89 0.84 1ci7A1 LYS 78 H 0.03 0.33 -0.28 -0.55 8.42 7.95 1ci7A1 LYS 78 HA -0.00 0.07 0.39 -0.75 4.32 4.02 1ci7A1 LYS 78 HB2 0.13 0.20 0.18 -0.04 1.87 2.34 1ci7A1 LYS 78 HB3 0.03 0.02 -0.04 -0.04 1.79 1.76 1ci7A1 LYS 78 HG2 0.18 0.04 0.04 -0.04 1.46 1.67 1ci7A1 LYS 78 HG3 0.08 0.02 0.04 -0.04 1.46 1.56 1ci7A1 LYS 78 HD2 0.08 -0.11 0.01 -0.04 1.69 1.63 1ci7A1 LYS 78 HD3 0.17 -0.03 0.11 -0.04 1.68 1.89 1ci7A1 LYS 78 HE2 0.07 0.01 0.01 -0.04 2.99 3.03 1ci7A1 LYS 78 HE3 0.08 0.02 0.03 -0.04 2.99 3.07 1ci7A1 LEU 79 H -0.42 0.21 -0.12 -0.55 8.37 7.49 1ci7A1 LEU 79 HA -0.35 0.03 0.28 -0.75 4.35 3.55 1ci7A1 LEU 79 HB2 -0.88 0.02 0.08 -0.04 1.64 0.81 1ci7A1 LEU 79 HB3 -0.40 -0.03 -0.12 -0.04 1.64 1.05 1ci7A1 LEU 79 HG -0.42 -0.04 -0.03 -0.04 1.64 1.11 1ci7A1 LEU 79 HD13 -1.29 0.02 -0.11 -0.04 0.93 -0.49 1ci7A1 LEU 79 HD23 -0.78 -0.03 -0.10 -0.04 0.89 -0.07 1ci7A1 ARG 80 H -0.16 0.32 -0.67 -0.55 8.46 7.40 1ci7A1 ARG 80 HA -0.31 0.22 0.68 -0.75 4.34 4.17 1ci7A1 ARG 80 HB2 -0.07 0.17 0.18 -0.04 1.90 2.14 1ci7A1 ARG 80 HB3 -0.07 -0.05 0.06 -0.04 1.80 1.69 1ci7A1 ARG 80 HG2 -0.12 -0.02 0.00 -0.04 1.67 1.49 1ci7A1 ARG 80 HG3 -0.12 0.12 -0.15 -0.04 1.67 1.48 1ci7A1 ARG 80 HD2 -0.01 -0.06 -0.16 -0.04 3.22 2.95 1ci7A1 ARG 80 HD3 0.01 0.03 -0.05 -0.04 3.22 3.17 1ci7A1 GLU 81 H -0.08 0.61 0.11 -0.55 8.60 8.69 1ci7A1 GLU 81 HA -0.02 0.02 0.46 -0.75 4.29 3.99 1ci7A1 GLU 81 HB2 -0.02 0.09 0.13 -0.04 2.09 2.25 1ci7A1 GLU 81 HB3 -0.01 -0.05 0.16 -0.04 1.99 2.05 1ci7A1 GLU 81 HG2 -0.01 -0.06 0.03 -0.04 2.34 2.26 1ci7A1 GLU 81 HG3 -0.02 0.31 0.08 -0.04 2.34 2.66 1ci7A1 LYS 82 H -0.10 0.15 -0.80 -0.55 8.42 7.12 1ci7A1 LYS 82 HA -0.02 0.18 0.81 -0.75 4.32 4.54 1ci7A1 LYS 82 HB2 -0.10 0.03 0.01 -0.04 1.87 1.77 1ci7A1 LYS 82 HB3 -0.05 -0.06 0.10 -0.04 1.79 1.74 1ci7A1 LYS 82 HG2 -0.01 0.02 -0.01 -0.04 1.46 1.41 1ci7A1 LYS 82 HG3 -0.03 0.03 -0.22 -0.04 1.46 1.20 1ci7A1 LYS 82 HD2 -0.05 -0.02 -0.10 -0.04 1.69 1.48 1ci7A1 LYS 82 HD3 -0.04 -0.06 -0.01 -0.04 1.68 1.54 1ci7A1 LYS 82 HE2 0.02 0.03 -0.05 -0.04 2.99 2.95 1ci7A1 LYS 82 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 1ci7A1 ASN 83 H -0.10 0.45 -0.25 -0.55 8.53 8.09 1ci7A1 ASN 83 HA -0.07 0.08 0.33 -0.75 4.76 4.35 1ci7A1 ASN 83 HB2 0.06 0.27 0.12 -0.04 2.88 3.29 1ci7A1 ASN 83 HB3 0.14 -0.09 0.20 -0.04 2.79 2.99 1ci7A1 ASN 83 HD21 0.03 -0.00 -0.12 -0.04 7.03 6.90 1ci7A1 ASN 83 HD22 0.03 0.06 -0.24 -0.04 7.74 7.56 1ci7A1 ILE 84 H -0.21 0.54 0.09 -0.55 8.25 8.13 1ci7A1 ILE 84 HA 0.17 0.10 0.77 -0.75 4.18 4.46 1ci7A1 ILE 84 HB -0.18 0.16 0.09 -0.04 1.89 1.91 1ci7A1 ILE 84 HG12 -0.17 -0.00 0.01 -0.04 1.49 1.28 1ci7A1 ILE 84 HG13 -0.02 -0.02 -0.05 -0.04 1.21 1.08 1ci7A1 ILE 84 HG23 -0.02 -0.07 -0.02 -0.04 0.93 0.77 1ci7A1 ILE 84 HD13 -0.07 0.01 -0.26 -0.04 0.88 0.51 1ci7A1 HIS 85 H 0.18 0.11 0.15 -0.55 8.41 8.30 1ci7A1 HIS 85 HA -0.00 0.22 0.85 -0.75 4.63 4.94 1ci7A1 HIS 85 HB2 -0.00 0.03 0.00 -0.04 3.26 3.25 1ci7A1 HIS 85 HB3 -0.01 -0.04 0.13 -0.04 3.20 3.23 1ci7A1 HIS 85 HD2 -0.00 -0.05 -0.04 -0.04 6.97 6.83 1ci7A1 HIS 85 HE1 0.02 0.12 -0.10 -0.04 7.75 7.74 1ci7A1 ILE 86 H 0.02 0.12 0.05 -0.55 8.25 7.89 1ci7A1 ILE 86 HA -0.13 0.10 0.34 -0.75 4.18 3.75 1ci7A1 ILE 86 HB -0.40 0.05 0.08 -0.04 1.89 1.58 1ci7A1 ILE 86 HG12 -0.05 -0.08 -0.04 -0.04 1.49 1.28 1ci7A1 ILE 86 HG13 -0.37 0.05 -0.30 -0.04 1.21 0.56 1ci7A1 ILE 86 HG23 0.03 -0.01 0.08 -0.04 0.93 0.99 1ci7A1 ILE 86 HD13 -0.06 0.02 -0.08 -0.04 0.88 0.73 1ci7A1 TRP 87 H 0.07 0.07 -0.48 -0.55 7.97 7.08 1ci7A1 TRP 87 HA -0.03 0.25 0.92 -0.75 4.62 5.01 1ci7A1 TRP 87 HB2 -0.21 -0.00 -0.09 -0.04 3.23 2.89 1ci7A1 TRP 87 HB3 0.01 0.02 -0.02 -0.04 3.23 3.19 1ci7A1 TRP 87 HD1 -0.40 -0.04 -0.16 -0.04 7.22 6.58 1ci7A1 TRP 87 HE1 0.21 0.03 -0.11 -0.04 10.20 10.28 1ci7A1 TRP 87 HE3 0.10 -0.05 -0.06 -0.04 7.59 7.55 1ci7A1 TRP 87 HZ2 0.56 -0.01 -0.06 -0.04 7.44 7.88 1ci7A1 TRP 87 HZ3 0.14 0.09 -0.08 -0.04 7.13 7.23 1ci7A1 TRP 87 HH2 0.40 0.03 -0.07 -0.04 7.19 7.51 1ci7A1 ASP 88 H 0.07 0.33 -0.21 -0.55 8.40 8.04 1ci7A1 ASP 88 HA 0.09 0.03 0.24 -0.75 4.63 4.23 1ci7A1 ASP 88 HB2 0.07 0.12 0.10 -0.04 2.71 2.95 1ci7A1 ASP 88 HB3 0.07 0.00 0.02 -0.04 2.70 2.75 1ci7A1 ALA 89 H -0.00 0.12 -0.45 -0.55 8.40 7.52 1ci7A1 ALA 89 HA 0.00 0.12 0.59 -0.75 4.34 4.29 1ci7A1 ALA 89 HB3 -0.10 0.01 0.07 -0.04 1.41 1.36 1ci7A1 ASN 90 H -0.10 0.13 0.00 -0.55 8.53 8.02 1ci7A1 ASN 90 HA -0.74 0.08 0.31 -0.75 4.76 3.66 1ci7A1 ASN 90 HB2 0.28 -0.02 -0.02 -0.04 2.88 3.08 1ci7A1 ASN 90 HB3 0.01 0.20 0.09 -0.04 2.79 3.04 1ci7A1 ASN 90 HD21 -0.26 0.05 0.02 -0.04 7.03 6.80 1ci7A1 ASN 90 HD22 -0.60 0.16 0.05 -0.04 7.74 7.30 1ci7A1 GLY 91 H 0.12 -0.01 -1.53 -0.55 8.43 6.46 1ci7A1 GLY 91 HA2 0.19 0.24 0.78 -0.51 4.01 4.72 1ci7A1 GLY 91 HA3 0.17 -0.09 0.17 -0.51 4.01 3.75 1ci7A1 SER 92 H 0.12 0.83 0.25 -0.55 8.46 9.11 1ci7A1 SER 92 HA 0.08 0.02 0.53 -0.75 4.49 4.37 1ci7A1 SER 92 HB2 0.07 -0.13 0.21 -0.04 3.95 4.06 1ci7A1 SER 92 HB3 0.07 0.19 0.35 -0.04 3.93 4.50 1ci7A1 ARG 93 H 0.06 0.15 0.25 -0.55 8.46 8.36 1ci7A1 ARG 93 HA 0.05 0.18 0.43 -0.75 4.34 4.25 1ci7A1 ARG 93 HB2 0.04 -0.03 0.22 -0.04 1.90 2.09 1ci7A1 ARG 93 HB3 0.04 0.02 0.05 -0.04 1.80 1.86 1ci7A1 ARG 93 HG2 0.02 0.04 0.03 -0.04 1.67 1.73 1ci7A1 ARG 93 HG3 0.03 0.05 0.12 -0.04 1.67 1.83 1ci7A1 ARG 93 HD2 0.02 -0.01 0.04 -0.04 3.22 3.24 1ci7A1 ARG 93 HD3 0.02 0.05 0.03 -0.04 3.22 3.28 1ci7A1 GLU 94 H 0.07 0.01 -0.18 -0.55 8.60 7.96 1ci7A1 GLU 94 HA 0.04 0.14 0.41 -0.75 4.29 4.12 1ci7A1 GLU 94 HB2 0.04 0.00 0.07 -0.04 2.09 2.17 1ci7A1 GLU 94 HB3 0.07 -0.05 0.04 -0.04 1.99 2.02 1ci7A1 GLU 94 HG2 0.07 0.02 -0.20 -0.04 2.34 2.19 1ci7A1 GLU 94 HG3 0.04 0.03 0.04 -0.04 2.34 2.40 1ci7A1 TYR 95 H 0.19 0.09 -0.29 -0.55 8.29 7.73 1ci7A1 TYR 95 HA 0.02 0.07 0.45 -0.75 4.56 4.35 1ci7A1 TYR 95 HB2 0.04 -0.09 0.02 -0.04 3.06 2.99 1ci7A1 TYR 95 HB3 0.05 0.12 0.01 -0.04 2.98 3.12 1ci7A1 TYR 95 HD2 0.05 0.05 -0.07 -0.04 7.15 7.13 1ci7A1 TYR 95 HE2 0.05 0.29 0.10 -0.04 6.85 7.26 1ci7A1 LEU 96 H 0.14 0.49 -0.14 -0.55 8.37 8.31 1ci7A1 LEU 96 HA -0.06 0.07 0.27 -0.75 4.35 3.87 1ci7A1 LEU 96 HB2 0.04 -0.01 0.03 -0.04 1.64 1.66 1ci7A1 LEU 96 HB3 0.01 0.34 -0.02 -0.04 1.64 1.92 1ci7A1 LEU 96 HG 0.07 -0.07 -0.15 -0.04 1.64 1.45 1ci7A1 LEU 96 HD13 0.05 0.00 -0.03 -0.04 0.93 0.92 1ci7A1 LEU 96 HD23 0.19 0.11 -0.16 -0.04 0.89 0.99 1ci7A1 ASP 97 H -0.02 0.28 -0.55 -0.55 8.40 7.56 1ci7A1 ASP 97 HA -0.04 0.02 0.21 -0.75 4.63 4.05 1ci7A1 ASP 97 HB2 -0.02 0.06 0.00 -0.04 2.71 2.72 1ci7A1 ASP 97 HB3 -0.02 -0.04 -0.02 -0.04 2.70 2.58 1ci7A1 SER 98 H -0.09 0.36 -0.11 -0.55 8.46 8.07 1ci7A1 SER 98 HA -0.06 -0.01 0.40 -0.75 4.49 4.07 1ci7A1 SER 98 HB2 -0.05 -0.06 0.10 -0.04 3.95 3.90 1ci7A1 SER 98 HB3 -0.04 0.04 0.20 -0.04 3.93 4.09 1ci7A1 ILE 99 H -0.28 0.39 -0.46 -0.55 8.25 7.34 1ci7A1 ILE 99 HA -0.14 0.12 0.69 -0.75 4.18 4.10 1ci7A1 ILE 99 HB -0.15 0.02 0.13 -0.04 1.89 1.85 1ci7A1 ILE 99 HG12 -0.37 0.07 -0.02 -0.04 1.49 1.12 1ci7A1 ILE 99 HG13 -0.15 -0.23 -0.16 -0.04 1.21 0.62 1ci7A1 ILE 99 HG23 -0.55 0.01 -0.05 -0.04 0.93 0.30 1ci7A1 ILE 99 HD13 -0.12 0.03 -0.01 -0.04 0.88 0.73 1ci7A1 GLY 100 H -0.10 0.35 -0.55 -0.55 8.43 7.59 1ci7A1 GLY 100 HA2 -0.05 0.00 0.37 -0.51 4.01 3.82 1ci7A1 GLY 100 HA3 -0.05 0.14 0.69 -0.51 4.01 4.27 1ci7A1 LEU 101 H -0.08 0.34 -0.26 -0.55 8.37 7.83 1ci7A1 LEU 101 HA -0.03 -0.00 0.44 -0.75 4.35 4.00 1ci7A1 LEU 101 HB2 -0.03 -0.01 0.16 -0.04 1.64 1.73 1ci7A1 LEU 101 HB3 -0.02 -0.11 0.09 -0.04 1.64 1.57 1ci7A1 LEU 101 HG -0.06 0.08 -0.09 -0.04 1.64 1.53 1ci7A1 LEU 101 HD13 -0.04 0.05 -0.19 -0.04 0.93 0.71 1ci7A1 LEU 101 HD23 -0.04 0.01 -0.10 -0.04 0.89 0.71 1ci7A1 THR 102 H -0.02 0.97 0.17 -0.55 8.28 8.84 1ci7A1 THR 102 HA -0.01 0.08 0.37 -0.75 4.39 4.08 1ci7A1 THR 102 HB -0.01 -0.05 0.09 -0.04 4.32 4.31 1ci7A1 THR 102 HG23 -0.02 0.02 -0.03 -0.04 1.22 1.14 1ci7A1 LYS 103 H -0.01 0.11 -0.26 -0.55 8.42 7.71 1ci7A1 LYS 103 HA 0.00 0.20 0.79 -0.75 4.32 4.56 1ci7A1 LYS 103 HB2 -0.00 0.01 0.01 -0.04 1.87 1.85 1ci7A1 LYS 103 HB3 0.00 -0.02 0.14 -0.04 1.79 1.87 1ci7A1 LYS 103 HG2 -0.00 0.05 -0.08 -0.04 1.46 1.38 1ci7A1 LYS 103 HG3 -0.01 -0.03 -0.14 -0.04 1.46 1.25 1ci7A1 LYS 103 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.65 1ci7A1 LYS 103 HD3 -0.00 -0.01 0.00 -0.04 1.68 1.63 1ci7A1 LYS 103 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 1ci7A1 LYS 103 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 1ci7A1 ARG 104 H 0.01 0.32 -0.48 -0.55 8.46 7.76 1ci7A1 ARG 104 HA 0.02 0.06 0.79 -0.75 4.34 4.46 1ci7A1 ARG 104 HB2 0.01 -0.07 -0.01 -0.04 1.90 1.79 1ci7A1 ARG 104 HB3 0.02 0.17 0.08 -0.04 1.80 2.03 1ci7A1 ARG 104 HG2 0.04 0.09 -0.12 -0.04 1.67 1.64 1ci7A1 ARG 104 HG3 0.05 -0.16 0.07 -0.04 1.67 1.59 1ci7A1 ARG 104 HD2 0.02 -0.02 -0.00 -0.04 3.22 3.18 1ci7A1 ARG 104 HD3 0.01 0.23 0.04 -0.04 3.22 3.47 1ci7A1 GLN 105 H 0.03 0.09 0.13 -0.55 8.47 8.17 1ci7A1 GLN 105 HA 0.03 0.05 0.42 -0.75 4.36 4.10 1ci7A1 GLN 105 HB2 0.02 -0.00 0.15 -0.04 2.15 2.27 1ci7A1 GLN 105 HB3 0.03 -0.00 -0.00 -0.04 2.02 2.00 1ci7A1 GLN 105 HG2 0.02 0.03 0.04 -0.04 2.40 2.44 1ci7A1 GLN 105 HG3 0.02 -0.01 0.02 -0.04 2.39 2.38 1ci7A1 GLN 105 HE21 0.02 -0.02 0.05 -0.04 6.97 6.98 1ci7A1 GLN 105 HE22 0.02 0.02 0.03 -0.04 7.69 7.72 1ci7A1 GLU 106 H 0.04 0.07 0.19 -0.55 8.60 8.35 1ci7A1 GLU 106 HA 0.06 0.21 0.41 -0.75 4.29 4.21 1ci7A1 GLU 106 HB2 0.04 -0.01 0.19 -0.04 2.09 2.27 1ci7A1 GLU 106 HB3 0.04 -0.04 0.14 -0.04 1.99 2.09 1ci7A1 GLU 106 HG2 0.06 -0.00 -0.25 -0.04 2.34 2.10 1ci7A1 GLU 106 HG3 0.07 0.10 0.16 -0.04 2.34 2.62 1ci7A1 GLY 107 H 0.09 0.57 0.24 -0.55 8.43 8.77 1ci7A1 GLY 107 HA2 0.09 -0.05 0.35 -0.51 4.01 3.89 1ci7A1 GLY 107 HA3 0.06 0.08 0.71 -0.51 4.01 4.35 1ci7A1 ASP 108 H 0.07 0.52 -0.21 -0.55 8.40 8.23 1ci7A1 ASP 108 HA 0.09 0.04 0.79 -0.75 4.63 4.80 1ci7A1 ASP 108 HB2 0.07 0.03 0.07 -0.04 2.71 2.84 1ci7A1 ASP 108 HB3 0.06 0.14 0.21 -0.04 2.70 3.07 1ci7A1 LEU 109 H 0.05 0.51 0.30 -0.55 8.37 8.69 1ci7A1 LEU 109 HA 0.04 0.13 0.45 -0.75 4.35 4.21 1ci7A1 LEU 109 HB2 -0.16 0.08 0.14 -0.04 1.64 1.65 1ci7A1 LEU 109 HB3 -0.13 -0.07 0.13 -0.04 1.64 1.53 1ci7A1 LEU 109 HG 0.06 0.04 0.09 -0.04 1.64 1.80 1ci7A1 LEU 109 HD13 -0.42 -0.03 -0.09 -0.04 0.93 0.35 1ci7A1 LEU 109 HD23 0.24 0.01 -0.16 -0.04 0.89 0.93 1ci7A1 GLY 110 H -0.06 -0.11 -0.35 -0.55 8.43 7.37 1ci7A1 GLY 110 HA2 -0.70 -0.07 0.28 -0.51 4.01 3.00 1ci7A1 GLY 110 HA3 -0.43 0.48 0.70 -0.51 4.01 4.25 1ci7A1 PRO 111 HA -0.84 0.03 0.39 -0.51 4.44 3.51 1ci7A1 PRO 111 HB2 -0.32 0.06 0.10 -0.04 2.28 2.08 1ci7A1 PRO 111 HB3 -0.98 -0.02 0.05 -0.04 2.02 1.03 1ci7A1 PRO 111 HG2 -0.41 0.04 -0.06 -0.04 2.03 1.56 1ci7A1 PRO 111 HG3 -0.41 0.04 0.04 -0.04 2.03 1.66 1ci7A1 PRO 111 HD2 -0.55 0.45 -0.18 -0.04 3.68 3.35 1ci7A1 PRO 111 HD3 -1.15 0.02 0.10 -0.04 3.65 2.59 1ci7A1 ILE 112 H -0.35 0.41 0.15 -0.55 8.25 7.91 1ci7A1 ILE 112 HA -0.34 0.28 0.72 -0.75 4.18 4.08 1ci7A1 ILE 112 HB -0.30 -0.17 0.12 -0.04 1.89 1.50 1ci7A1 ILE 112 HG12 -0.33 0.23 0.05 -0.04 1.49 1.40 1ci7A1 ILE 112 HG13 -0.35 -0.14 -0.19 -0.04 1.21 0.48 1ci7A1 ILE 112 HG23 -0.24 0.06 -0.19 -0.04 0.93 0.52 1ci7A1 ILE 112 HD13 -0.54 -0.01 -0.03 -0.04 0.88 0.26 1ci7A1 TYR 113 H -0.64 0.14 0.09 -0.55 8.29 7.33 1ci7A1 TYR 113 HA -0.52 0.06 0.35 -0.75 4.56 3.69 1ci7A1 TYR 113 HB2 -0.68 -0.07 0.08 -0.04 3.06 2.35 1ci7A1 TYR 113 HB3 -1.82 0.07 -0.03 -0.04 2.98 1.16 1ci7A1 TYR 113 HD2 -0.06 0.04 0.00 -0.04 7.15 7.10 1ci7A1 TYR 113 HE2 -0.04 0.13 -0.09 -0.04 6.85 6.82 1ci7A1 GLY 114 H -0.37 0.08 -0.12 -0.55 8.43 7.47 1ci7A1 GLY 114 HA2 -0.36 0.09 0.41 -0.51 4.01 3.64 1ci7A1 GLY 114 HA3 -0.28 0.11 0.37 -0.51 4.01 3.71 1ci7A1 PHE 115 H -0.03 0.13 -0.13 -0.55 8.34 7.75 1ci7A1 PHE 115 HA 0.02 0.07 0.32 -0.75 4.62 4.28 1ci7A1 PHE 115 HB2 -0.07 0.01 -0.00 -0.04 3.15 3.04 1ci7A1 PHE 115 HB3 -0.18 0.03 -0.06 -0.04 3.06 2.81 1ci7A1 PHE 115 HD2 -0.19 0.06 -0.22 -0.04 7.28 6.89 1ci7A1 PHE 115 HE2 -1.65 0.12 -0.16 -0.04 7.38 5.64 1ci7A1 PHE 115 HZ -0.38 -0.02 -0.53 -0.04 7.32 6.35 1ci7A1 GLN 116 H 0.00 0.43 -0.48 -0.55 8.47 7.87 1ci7A1 GLN 116 HA 0.03 0.04 0.40 -0.75 4.36 4.07 1ci7A1 GLN 116 HB2 0.06 0.01 0.03 -0.04 2.15 2.22 1ci7A1 GLN 116 HB3 0.34 0.03 0.08 -0.04 2.02 2.43 1ci7A1 GLN 116 HG2 -0.09 0.08 -0.21 -0.04 2.40 2.13 1ci7A1 GLN 116 HG3 -0.09 0.27 0.06 -0.04 2.39 2.60 1ci7A1 GLN 116 HE21 -0.14 0.04 -0.03 -0.04 6.97 6.80 1ci7A1 GLN 116 HE22 -0.10 0.19 -0.04 -0.04 7.69 7.70 1ci7A1 TRP 117 H 0.13 0.62 -0.01 -0.55 7.97 8.16 1ci7A1 TRP 117 HA 0.07 -0.02 0.42 -0.75 4.62 4.35 1ci7A1 TRP 117 HB2 -0.02 0.20 0.18 -0.04 3.23 3.54 1ci7A1 TRP 117 HB3 0.00 -0.13 -0.01 -0.04 3.23 3.05 1ci7A1 TRP 117 HD1 0.14 0.10 -0.28 -0.04 7.22 7.14 1ci7A1 TRP 117 HE1 0.24 -0.03 -0.25 -0.04 10.20 10.12 1ci7A1 TRP 117 HE3 0.01 0.06 -0.17 -0.04 7.59 7.46 1ci7A1 TRP 117 HZ2 0.21 0.00 -0.11 -0.04 7.44 7.50 1ci7A1 TRP 117 HZ3 0.02 0.00 -0.07 -0.04 7.13 7.04 1ci7A1 TRP 117 HH2 -0.27 -0.02 -0.09 -0.04 7.19 6.77 1ci7A1 ARG 118 H -0.05 0.50 -0.13 -0.55 8.46 8.23 1ci7A1 ARG 118 HA -0.10 -0.03 1.04 -0.75 4.34 4.50 1ci7A1 ARG 118 HB2 -0.79 0.05 -0.06 -0.04 1.90 1.06 1ci7A1 ARG 118 HB3 -0.35 -0.08 0.08 -0.04 1.80 1.41 1ci7A1 ARG 118 HG2 0.01 0.10 -0.02 -0.04 1.67 1.73 1ci7A1 ARG 118 HG3 -0.04 0.20 -0.07 -0.04 1.67 1.72 1ci7A1 ARG 118 HD2 0.02 -0.09 -0.17 -0.04 3.22 2.93 1ci7A1 ARG 118 HD3 0.20 -0.08 -0.18 -0.04 3.22 3.12 1ci7A1 HIS 119 H -0.27 0.50 0.02 -0.55 8.41 8.12 1ci7A1 HIS 119 HA -0.16 0.25 0.77 -0.75 4.63 4.74 1ci7A1 HIS 119 HB2 -1.59 0.03 0.03 -0.04 3.26 1.70 1ci7A1 HIS 119 HB3 -0.62 -0.11 0.08 -0.04 3.20 2.51 1ci7A1 HIS 119 HD2 -0.27 -0.02 -0.05 -0.04 6.97 6.59 1ci7A1 HIS 119 HE1 0.03 -0.21 -0.13 -0.04 7.75 7.40 1ci7A1 PHE 120 H 0.11 0.46 0.15 -0.55 8.34 8.50 1ci7A1 PHE 120 HA -0.01 0.01 0.41 -0.75 4.62 4.28 1ci7A1 PHE 120 HB2 0.03 0.31 0.30 -0.04 3.15 3.75 1ci7A1 PHE 120 HB3 0.02 -0.33 0.25 -0.04 3.06 2.96 1ci7A1 PHE 120 HD2 0.07 0.06 -0.05 -0.04 7.28 7.32 1ci7A1 PHE 120 HE2 0.08 -0.05 -0.27 -0.04 7.38 7.10 1ci7A1 PHE 120 HZ 0.07 0.05 -0.07 -0.04 7.32 7.33 1ci7A1 GLY 121 H 0.26 -0.23 0.11 -0.55 8.43 8.03 1ci7A1 GLY 121 HA2 0.12 0.04 0.40 -0.51 4.01 4.06 1ci7A1 GLY 121 HA3 0.13 -0.08 0.36 -0.51 4.01 3.92 1ci7A1 ALA 122 H -0.00 0.36 -0.22 -0.55 8.40 7.99 1ci7A1 ALA 122 HA 0.06 -0.14 0.28 -0.75 4.34 3.79 1ci7A1 ALA 122 HB3 -0.12 0.00 -0.32 -0.04 1.41 0.93 1ci7A1 GLU 123 H 0.13 0.06 0.10 -0.55 8.60 8.34 1ci7A1 GLU 123 HA 0.11 0.13 0.67 -0.75 4.29 4.44 1ci7A1 GLU 123 HB2 0.07 -0.00 0.13 -0.04 2.09 2.24 1ci7A1 GLU 123 HB3 0.10 -0.06 0.20 -0.04 1.99 2.19 1ci7A1 GLU 123 HG2 0.07 0.16 -0.29 -0.04 2.34 2.25 1ci7A1 GLU 123 HG3 0.05 -0.00 0.02 -0.04 2.34 2.36 1ci7A1 TYR 124 H 0.16 0.25 0.12 -0.55 8.29 8.27 1ci7A1 TYR 124 HA -0.23 0.03 0.26 -0.75 4.56 3.86 1ci7A1 TYR 124 HB2 -1.19 0.09 0.02 -0.04 3.06 1.94 1ci7A1 TYR 124 HB3 -0.36 0.02 0.05 -0.04 2.98 2.65 1ci7A1 TYR 124 HD2 -1.44 0.08 -0.25 -0.04 7.15 5.50 1ci7A1 TYR 124 HE2 -0.23 0.00 -0.13 -0.04 6.85 6.45 1ci7A1 ILE 125 H -0.74 0.13 -0.09 -0.55 8.25 6.99 1ci7A1 ILE 125 HA -0.09 0.03 0.43 -0.75 4.18 3.79 1ci7A1 ILE 125 HB -0.07 -0.06 0.06 -0.04 1.89 1.78 1ci7A1 ILE 125 HG12 0.04 0.12 -0.10 -0.04 1.49 1.51 1ci7A1 ILE 125 HG13 -0.15 -0.05 0.23 -0.04 1.21 1.20 1ci7A1 ILE 125 HG23 0.01 0.04 -0.21 -0.04 0.93 0.74 1ci7A1 ILE 125 HD13 -0.05 -0.01 -0.01 -0.04 0.88 0.77 1ci7A1 ASP 126 H -0.16 0.13 0.06 -0.55 8.40 7.89 1ci7A1 ASP 126 HA -0.04 -0.05 0.48 -0.75 4.63 4.26 1ci7A1 ASP 126 HB2 -0.06 0.03 -0.09 -0.04 2.71 2.55 1ci7A1 ASP 126 HB3 -0.14 0.42 -0.12 -0.04 2.70 2.82 1ci7A1 CYS 127 H 0.06 0.14 0.12 -0.55 8.50 8.27 1ci7A1 CYS 127 HA 0.10 0.15 0.30 -0.75 4.58 4.37 1ci7A1 CYS 127 HB2 0.13 -0.12 0.04 -0.04 2.97 2.98 1ci7A1 CYS 127 HB3 0.18 -0.01 0.05 -0.04 2.97 3.15 1ci7A1 LYS 128 H -0.05 0.07 -0.78 -0.55 8.42 7.10 1ci7A1 LYS 128 HA 0.01 0.20 0.93 -0.75 4.32 4.70 1ci7A1 LYS 128 HB2 -0.03 0.01 -0.03 -0.04 1.87 1.77 1ci7A1 LYS 128 HB3 -0.02 0.02 0.14 -0.04 1.79 1.89 1ci7A1 LYS 128 HG2 0.02 0.04 -0.13 -0.04 1.46 1.35 1ci7A1 LYS 128 HG3 0.01 -0.11 -0.16 -0.04 1.46 1.16 1ci7A1 LYS 128 HD2 0.01 0.03 -0.01 -0.04 1.69 1.67 1ci7A1 LYS 128 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.59 1ci7A1 LYS 128 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 1ci7A1 LYS 128 HE3 -0.00 -0.03 -0.03 -0.04 2.99 2.88 1ci7A1 THR 129 H -0.17 0.48 0.10 -0.55 8.28 8.14 1ci7A1 THR 129 HA -0.20 0.10 0.78 -0.75 4.39 4.32 1ci7A1 THR 129 HB -0.48 -0.02 0.04 -0.04 4.32 3.81 1ci7A1 THR 129 HG23 -0.19 -0.04 0.09 -0.04 1.22 1.04 1ci7A1 ASN 130 H -0.26 0.16 0.14 -0.55 8.53 8.02 1ci7A1 ASN 130 HA -0.14 0.10 0.71 -0.75 4.76 4.67 1ci7A1 ASN 130 HB2 -0.09 0.03 0.08 -0.04 2.88 2.86 1ci7A1 ASN 130 HB3 -0.12 0.02 0.21 -0.04 2.79 2.86 1ci7A1 ASN 130 HD21 0.01 0.02 0.02 -0.04 7.03 7.04 1ci7A1 ASN 130 HD22 -0.02 0.06 0.07 -0.04 7.74 7.82 1ci7A1 TYR 131 H -0.07 0.23 0.11 -0.55 8.29 8.01 1ci7A1 TYR 131 HA -0.16 0.21 0.68 -0.75 4.56 4.54 1ci7A1 TYR 131 HB2 -0.83 0.04 -0.00 -0.04 3.06 2.23 1ci7A1 TYR 131 HB3 -0.72 0.02 0.09 -0.04 2.98 2.34 1ci7A1 TYR 131 HD2 0.04 0.03 -0.10 -0.04 7.15 7.08 1ci7A1 TYR 131 HE2 -0.06 0.09 -0.12 -0.04 6.85 6.71 1ci7A1 ILE 132 H -0.03 0.01 -0.24 -0.55 8.25 7.45 1ci7A1 ILE 132 HA 0.14 0.02 0.35 -0.75 4.18 3.94 1ci7A1 ILE 132 HB 0.04 -0.01 0.09 -0.04 1.89 1.97 1ci7A1 ILE 132 HG12 0.05 0.06 -0.36 -0.04 1.49 1.20 1ci7A1 ILE 132 HG13 0.07 0.00 -0.00 -0.04 1.21 1.24 1ci7A1 ILE 132 HG23 -0.00 0.00 -0.00 -0.04 0.93 0.88 1ci7A1 ILE 132 HD13 0.03 -0.01 -0.03 -0.04 0.88 0.83 1ci7A1 GLY 133 H 0.17 0.14 0.23 -0.55 8.43 8.42 1ci7A1 GLY 133 HA2 0.08 -0.02 0.35 -0.51 4.01 3.91 1ci7A1 GLY 133 HA3 0.05 0.06 0.60 -0.51 4.01 4.21 1ci7A1 GLN 134 H 0.06 0.59 0.08 -0.55 8.47 8.65 1ci7A1 GLN 134 HA 0.05 0.09 0.95 -0.75 4.36 4.70 1ci7A1 GLN 134 HB2 -0.03 0.11 0.14 -0.04 2.15 2.34 1ci7A1 GLN 134 HB3 0.05 -0.14 0.02 -0.04 2.02 1.91 1ci7A1 GLN 134 HG2 0.04 -0.04 -0.07 -0.04 2.40 2.30 1ci7A1 GLN 134 HG3 0.02 0.09 -0.36 -0.04 2.39 2.10 1ci7A1 GLN 134 HE21 0.20 0.04 -0.04 -0.04 6.97 7.13 1ci7A1 GLN 134 HE22 0.16 -0.11 -0.01 -0.04 7.69 7.69 1ci7A1 GLY 135 H 0.05 0.07 0.09 -0.55 8.43 8.10 1ci7A1 GLY 135 HA2 0.07 -0.08 0.27 -0.51 4.01 3.76 1ci7A1 GLY 135 HA3 0.02 0.35 0.39 -0.51 4.01 4.26 1ci7A1 VAL 136 H 0.13 -0.19 0.00 -0.55 8.24 7.64 1ci7A1 VAL 136 HA 0.04 0.16 0.62 -0.75 4.13 4.21 1ci7A1 VAL 136 HB 0.06 -0.01 0.06 -0.04 2.12 2.19 1ci7A1 VAL 136 HG13 0.06 -0.05 0.07 -0.04 0.97 1.01 1ci7A1 VAL 136 HG23 0.00 0.01 -0.08 -0.04 0.95 0.85 1ci7A1 ASP 137 H 0.02 0.15 0.05 -0.55 8.40 8.07 1ci7A1 ASP 137 HA -0.03 0.27 0.78 -0.75 4.63 4.89 1ci7A1 ASP 137 HB2 -0.00 0.18 0.09 -0.04 2.71 2.94 1ci7A1 ASP 137 HB3 0.00 -0.07 0.23 -0.04 2.70 2.82 1ci7A1 GLN 138 H 0.02 0.45 -0.11 -0.55 8.47 8.29 1ci7A1 GLN 138 HA -0.02 -0.02 0.34 -0.75 4.36 3.91 1ci7A1 GLN 138 HB2 0.00 0.07 0.30 -0.04 2.15 2.48 1ci7A1 GLN 138 HB3 -0.03 0.09 0.18 -0.04 2.02 2.22 1ci7A1 GLN 138 HG2 -0.06 -0.05 0.10 -0.04 2.40 2.35 1ci7A1 GLN 138 HG3 0.03 0.11 0.11 -0.04 2.39 2.60 1ci7A1 GLN 138 HE21 0.38 0.37 0.07 -0.04 6.97 7.75 1ci7A1 GLN 138 HE22 0.27 0.32 0.20 -0.04 7.69 8.44 1ci7A1 LEU 139 H -0.01 0.46 -0.02 -0.55 8.37 8.26 1ci7A1 LEU 139 HA -0.10 0.01 0.32 -0.75 4.35 3.83 1ci7A1 LEU 139 HB2 -0.01 0.02 0.05 -0.04 1.64 1.66 1ci7A1 LEU 139 HB3 0.02 0.03 -0.01 -0.04 1.64 1.64 1ci7A1 LEU 139 HG -0.02 0.02 -0.13 -0.04 1.64 1.47 1ci7A1 LEU 139 HD13 -0.18 -0.02 0.02 -0.04 0.93 0.71 1ci7A1 LEU 139 HD23 0.09 0.01 -0.05 -0.04 0.89 0.90 1ci7A1 ALA 140 H -0.01 0.28 -0.26 -0.55 8.40 7.86 1ci7A1 ALA 140 HA -0.02 0.06 0.49 -0.75 4.34 4.12 1ci7A1 ALA 140 HB3 -0.00 0.03 0.12 -0.04 1.41 1.51 1ci7A1 ASN 141 H -0.02 0.49 0.01 -0.55 8.53 8.46 1ci7A1 ASN 141 HA -0.02 0.02 0.47 -0.75 4.76 4.48 1ci7A1 ASN 141 HB2 -0.02 0.10 0.09 -0.04 2.88 3.01 1ci7A1 ASN 141 HB3 -0.01 -0.03 0.03 -0.04 2.79 2.73 1ci7A1 ASN 141 HD21 0.00 -0.11 -0.10 -0.04 7.03 6.78 1ci7A1 ASN 141 HD22 -0.01 -0.00 -0.23 -0.04 7.74 7.46 1ci7A1 ILE 142 H -0.04 0.64 -0.15 -0.55 8.25 8.15 1ci7A1 ILE 142 HA -0.02 0.01 0.44 -0.75 4.18 3.86 1ci7A1 ILE 142 HB -0.09 0.10 0.09 -0.04 1.89 1.95 1ci7A1 ILE 142 HG12 0.03 -0.08 -0.13 -0.04 1.49 1.26 1ci7A1 ILE 142 HG13 -0.02 0.24 -0.05 -0.04 1.21 1.34 1ci7A1 ILE 142 HG23 -0.09 -0.01 -0.21 -0.04 0.93 0.58 1ci7A1 ILE 142 HD13 0.03 -0.00 -0.34 -0.04 0.88 0.53 1ci7A1 ILE 143 H -0.07 0.48 -0.05 -0.55 8.25 8.06 1ci7A1 ILE 143 HA -0.10 0.03 0.26 -0.75 4.18 3.63 1ci7A1 ILE 143 HB -0.04 0.08 0.13 -0.04 1.89 2.01 1ci7A1 ILE 143 HG12 -0.07 0.40 0.20 -0.04 1.49 1.98 1ci7A1 ILE 143 HG13 -0.03 -0.04 0.01 -0.04 1.21 1.11 1ci7A1 ILE 143 HG23 -0.03 0.00 -0.17 -0.04 0.93 0.69 1ci7A1 ILE 143 HD13 -0.10 -0.03 -0.04 -0.04 0.88 0.67 1ci7A1 GLN 144 H -0.04 0.41 -0.34 -0.55 8.47 7.95 1ci7A1 GLN 144 HA -0.03 0.04 0.38 -0.75 4.36 3.99 1ci7A1 GLN 144 HB2 -0.02 0.04 0.11 -0.04 2.15 2.24 1ci7A1 GLN 144 HB3 -0.02 0.06 0.17 -0.04 2.02 2.18 1ci7A1 GLN 144 HG2 -0.02 -0.05 -0.02 -0.04 2.40 2.27 1ci7A1 GLN 144 HG3 -0.03 -0.02 -0.28 -0.04 2.39 2.03 1ci7A1 GLN 144 HE21 -0.02 0.00 -0.01 -0.04 6.97 6.90 1ci7A1 GLN 144 HE22 -0.02 -0.03 -0.03 -0.04 7.69 7.57 1ci7A1 LYS 145 H -0.03 0.67 -0.00 -0.55 8.42 8.50 1ci7A1 LYS 145 HA -0.04 -0.10 0.47 -0.75 4.32 3.89 1ci7A1 LYS 145 HB2 -0.03 0.09 0.17 -0.04 1.87 2.06 1ci7A1 LYS 145 HB3 -0.03 0.01 0.04 -0.04 1.79 1.77 1ci7A1 LYS 145 HG2 -0.02 -0.09 0.08 -0.04 1.46 1.38 1ci7A1 LYS 145 HG3 -0.02 0.16 0.13 -0.04 1.46 1.69 1ci7A1 LYS 145 HD2 -0.01 0.03 -0.05 -0.04 1.69 1.62 1ci7A1 LYS 145 HD3 -0.01 -0.06 -0.02 -0.04 1.68 1.54 1ci7A1 LYS 145 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.91 1ci7A1 LYS 145 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.93 1ci7A1 ILE 146 H -0.05 0.56 -0.31 -0.55 8.25 7.89 1ci7A1 ILE 146 HA -0.07 -0.02 0.20 -0.75 4.18 3.53 1ci7A1 ILE 146 HB -0.07 0.20 0.03 -0.04 1.89 2.00 1ci7A1 ILE 146 HG12 -0.04 -0.03 -0.03 -0.04 1.49 1.35 1ci7A1 ILE 146 HG13 -0.06 0.16 0.01 -0.04 1.21 1.28 1ci7A1 ILE 146 HG23 -0.06 -0.01 -0.10 -0.04 0.93 0.72 1ci7A1 ILE 146 HD13 -0.14 -0.05 -0.18 -0.04 0.88 0.46 1ci7A1 ARG 147 H -0.05 0.22 -0.41 -0.55 8.46 7.67 1ci7A1 ARG 147 HA -0.06 0.08 0.52 -0.75 4.34 4.13 1ci7A1 ARG 147 HB2 -0.04 0.03 0.23 -0.04 1.90 2.07 1ci7A1 ARG 147 HB3 -0.04 -0.11 -0.03 -0.04 1.80 1.58 1ci7A1 ARG 147 HG2 -0.04 -0.12 0.02 -0.04 1.67 1.49 1ci7A1 ARG 147 HG3 -0.04 0.03 0.08 -0.04 1.67 1.69 1ci7A1 ARG 147 HD2 -0.05 0.00 -0.04 -0.04 3.22 3.10 1ci7A1 ARG 147 HD3 -0.04 -0.01 -0.22 -0.04 3.22 2.91 1ci7A1 THR 148 H -0.06 0.46 -0.08 -0.55 8.28 8.06 1ci7A1 THR 148 HA -0.06 0.06 0.68 -0.75 4.39 4.32 1ci7A1 THR 148 HB -0.05 -0.08 0.25 -0.04 4.32 4.40 1ci7A1 THR 148 HG23 -0.05 -0.03 -0.06 -0.04 1.22 1.05 1ci7A1 SER 149 H -0.07 0.08 0.17 -0.55 8.46 8.10 1ci7A1 SER 149 HA -0.17 0.19 0.89 -0.75 4.49 4.65 1ci7A1 SER 149 HB2 -0.08 -0.07 0.05 -0.04 3.95 3.81 1ci7A1 SER 149 HB3 -0.07 -0.03 0.05 -0.04 3.93 3.84 1ci7A1 PRO 150 HA -0.10 0.04 0.47 -0.51 4.44 4.34 1ci7A1 PRO 150 HB2 -0.12 0.01 0.04 -0.04 2.28 2.17 1ci7A1 PRO 150 HB3 -0.13 0.32 0.14 -0.04 2.02 2.31 1ci7A1 PRO 150 HG2 -1.01 -0.14 0.10 -0.04 2.03 0.94 1ci7A1 PRO 150 HG3 -0.36 0.13 0.09 -0.04 2.03 1.85 1ci7A1 PRO 150 HD2 -0.35 -0.04 0.31 -0.04 3.68 3.56 1ci7A1 PRO 150 HD3 -0.20 0.46 -0.15 -0.04 3.65 3.71 1ci7A1 TYR 151 H -0.33 0.11 -0.19 -0.55 8.29 7.33 1ci7A1 TYR 151 HA -0.22 0.18 0.56 -0.75 4.56 4.33 1ci7A1 TYR 151 HB2 -0.08 -0.05 0.04 -0.04 3.06 2.93 1ci7A1 TYR 151 HB3 -0.12 -0.03 0.17 -0.04 2.98 2.96 1ci7A1 TYR 151 HD2 -0.10 0.04 -0.07 -0.04 7.15 6.97 1ci7A1 TYR 151 HE2 -0.04 0.04 0.00 -0.04 6.85 6.81 1ci7A1 ASP 152 H -0.03 0.29 -0.80 -0.55 8.40 7.31 1ci7A1 ASP 152 HA -0.00 -0.03 0.41 -0.75 4.63 4.26 1ci7A1 ASP 152 HB2 -0.03 0.23 0.08 -0.04 2.71 2.94 1ci7A1 ASP 152 HB3 -0.02 0.06 0.06 -0.04 2.70 2.75 1ci7A1 ARG 153 H -0.00 0.14 0.15 -0.55 8.46 8.20 1ci7A1 ARG 153 HA 0.01 0.21 0.62 -0.75 4.34 4.42 1ci7A1 ARG 153 HB2 0.01 -0.04 0.15 -0.04 1.90 1.99 1ci7A1 ARG 153 HB3 0.02 -0.02 0.23 -0.04 1.80 1.99 1ci7A1 ARG 153 HG2 0.03 -0.04 0.05 -0.04 1.67 1.66 1ci7A1 ARG 153 HG3 0.01 0.07 -0.00 -0.04 1.67 1.70 1ci7A1 ARG 153 HD2 -0.01 0.05 0.05 -0.04 3.22 3.27 1ci7A1 ARG 153 HD3 -0.00 0.02 0.17 -0.04 3.22 3.37 1ci7A1 ARG 154 H 0.01 0.22 -0.74 -0.55 8.46 7.39 1ci7A1 ARG 154 HA 0.02 0.19 0.73 -0.75 4.34 4.52 1ci7A1 ARG 154 HB2 0.00 0.02 -0.01 -0.04 1.90 1.87 1ci7A1 ARG 154 HB3 0.01 -0.01 0.14 -0.04 1.80 1.90 1ci7A1 ARG 154 HG2 0.01 0.15 -0.23 -0.04 1.67 1.55 1ci7A1 ARG 154 HG3 0.01 -0.17 -0.49 -0.04 1.67 0.97 1ci7A1 ARG 154 HD2 0.00 0.00 -0.06 -0.04 3.22 3.12 1ci7A1 ARG 154 HD3 0.00 -0.00 -0.02 -0.04 3.22 3.15 1ci7A1 LEU 155 H 0.03 0.31 -0.02 -0.55 8.37 8.14 1ci7A1 LEU 155 HA 0.04 0.12 0.60 -0.75 4.35 4.36 1ci7A1 LEU 155 HB2 0.15 -0.02 0.32 -0.04 1.64 2.05 1ci7A1 LEU 155 HB3 0.14 -0.01 0.10 -0.04 1.64 1.84 1ci7A1 LEU 155 HG 0.03 0.12 0.11 -0.04 1.64 1.86 1ci7A1 LEU 155 HD13 0.04 0.05 -0.08 -0.04 0.93 0.90 1ci7A1 LEU 155 HD23 0.00 0.00 -0.10 -0.04 0.89 0.75 1ci7A1 ILE 156 H 0.03 0.46 0.08 -0.55 8.25 8.26 1ci7A1 ILE 156 HA -0.03 0.29 1.09 -0.75 4.18 4.78 1ci7A1 ILE 156 HB 0.04 0.04 0.03 -0.04 1.89 1.95 1ci7A1 ILE 156 HG12 0.09 -0.01 -0.13 -0.04 1.49 1.40 1ci7A1 ILE 156 HG13 -0.06 0.02 -0.19 -0.04 1.21 0.94 1ci7A1 ILE 156 HG23 0.18 -0.03 -0.31 -0.04 0.93 0.73 1ci7A1 ILE 156 HD13 0.01 -0.01 -0.56 -0.04 0.88 0.28 1ci7A1 LEU 157 H -0.03 0.64 0.28 -0.55 8.37 8.71 1ci7A1 LEU 157 HA -0.05 0.12 0.86 -0.75 4.35 4.52 1ci7A1 LEU 157 HB2 -0.07 0.02 -0.07 -0.04 1.64 1.49 1ci7A1 LEU 157 HB3 -0.09 0.03 0.18 -0.04 1.64 1.72 1ci7A1 LEU 157 HG -0.81 -0.02 -0.31 -0.04 1.64 0.46 1ci7A1 LEU 157 HD13 -0.58 -0.01 0.02 -0.04 0.93 0.32 1ci7A1 LEU 157 HD23 -1.50 -0.01 -0.08 -0.04 0.89 -0.74 1ci7A1 SER 158 H 0.13 0.25 0.13 -0.55 8.46 8.43 1ci7A1 SER 158 HA 0.47 0.27 1.22 -0.75 4.49 5.69 1ci7A1 SER 158 HB2 0.42 -0.02 -0.11 -0.04 3.95 4.20 1ci7A1 SER 158 HB3 0.18 0.03 -0.01 -0.04 3.93 4.09 1ci7A1 ALA 159 H 0.50 0.64 0.38 -0.55 8.40 9.37 1ci7A1 ALA 159 HA 0.38 0.20 0.83 -0.75 4.34 5.00 1ci7A1 ALA 159 HB3 0.13 -0.01 0.05 -0.04 1.41 1.54 1ci7A1 TRP 160 H 0.46 0.10 0.10 -0.55 7.97 8.09 1ci7A1 TRP 160 HA 0.03 0.07 0.55 -0.75 4.62 4.52 1ci7A1 TRP 160 HB2 0.05 -0.05 0.10 -0.04 3.23 3.29 1ci7A1 TRP 160 HB3 0.00 0.01 0.16 -0.04 3.23 3.36 1ci7A1 TRP 160 HD1 0.01 -0.00 -0.11 -0.04 7.22 7.08 1ci7A1 TRP 160 HE1 -0.00 -0.00 -0.04 -0.04 10.20 10.12 1ci7A1 TRP 160 HE3 0.05 -0.05 -0.03 -0.04 7.59 7.52 1ci7A1 TRP 160 HZ2 0.01 0.01 -0.01 -0.04 7.44 7.41 1ci7A1 TRP 160 HZ3 0.06 0.16 -0.02 -0.04 7.13 7.29 1ci7A1 TRP 160 HH2 0.04 0.02 -0.01 -0.04 7.19 7.19 1ci7A1 ASN 161 H -0.37 0.28 0.17 -0.55 8.53 8.07 1ci7A1 ASN 161 HA 0.11 0.24 0.89 -0.75 4.76 5.24 1ci7A1 ASN 161 HB2 -0.64 0.10 -0.10 -0.04 2.88 2.20 1ci7A1 ASN 161 HB3 -0.37 -0.00 0.19 -0.04 2.79 2.57 1ci7A1 ASN 161 HD21 -0.45 0.06 -0.07 -0.04 7.03 6.53 1ci7A1 ASN 161 HD22 -1.06 0.10 -0.04 -0.04 7.74 6.71 1ci7A1 PRO 162 HA -0.25 0.04 0.39 -0.51 4.44 4.10 1ci7A1 PRO 162 HB2 0.07 0.04 0.03 -0.04 2.28 2.38 1ci7A1 PRO 162 HB3 0.11 0.05 0.09 -0.04 2.02 2.22 1ci7A1 PRO 162 HG2 0.29 0.07 0.05 -0.04 2.03 2.39 1ci7A1 PRO 162 HG3 0.59 0.02 0.02 -0.04 2.03 2.62 1ci7A1 PRO 162 HD2 0.17 0.11 0.17 -0.04 3.68 4.08 1ci7A1 PRO 162 HD3 0.29 0.36 -0.10 -0.04 3.65 4.16 1ci7A1 ALA 163 H -0.07 0.09 -0.47 -0.55 8.40 7.40 1ci7A1 ALA 163 HA -0.05 0.11 0.53 -0.75 4.34 4.18 1ci7A1 ALA 163 HB3 -0.04 0.02 0.06 -0.04 1.41 1.41 1ci7A1 ASP 164 H -0.22 0.79 -0.10 -0.55 8.40 8.32 1ci7A1 ASP 164 HA -0.15 0.20 1.07 -0.75 4.63 4.99 1ci7A1 ASP 164 HB2 -0.27 0.03 0.09 -0.04 2.71 2.52 1ci7A1 ASP 164 HB3 -0.26 0.00 0.05 -0.04 2.70 2.45 1ci7A1 LEU 165 H -0.29 0.22 0.01 -0.55 8.37 7.77 1ci7A1 LEU 165 HA -0.33 0.03 0.30 -0.75 4.35 3.60 1ci7A1 LEU 165 HB2 -0.24 0.09 0.10 -0.04 1.64 1.54 1ci7A1 LEU 165 HB3 -0.23 0.04 -0.06 -0.04 1.64 1.35 1ci7A1 LEU 165 HG -0.75 -0.01 0.03 -0.04 1.64 0.87 1ci7A1 LEU 165 HD13 -0.93 -0.01 -0.22 -0.04 0.93 -0.27 1ci7A1 LEU 165 HD23 -0.43 0.01 0.01 -0.04 0.89 0.43 1ci7A1 GLU 166 H -0.13 0.08 -0.38 -0.55 8.60 7.62 1ci7A1 GLU 166 HA -0.09 0.13 0.50 -0.75 4.29 4.08 1ci7A1 GLU 166 HB2 -0.07 -0.04 0.05 -0.04 2.09 1.99 1ci7A1 GLU 166 HB3 -0.07 0.01 -0.02 -0.04 1.99 1.86 1ci7A1 GLU 166 HG2 -0.05 -0.02 0.03 -0.04 2.34 2.26 1ci7A1 GLU 166 HG3 -0.04 -0.03 -0.01 -0.04 2.34 2.21 1ci7A1 LYS 167 H -0.14 0.15 -0.07 -0.55 8.42 7.81 1ci7A1 LYS 167 HA -0.10 0.02 0.35 -0.75 4.32 3.83 1ci7A1 LYS 167 HB2 -0.21 0.13 0.13 -0.04 1.87 1.88 1ci7A1 LYS 167 HB3 -0.18 -0.11 0.16 -0.04 1.79 1.61 1ci7A1 LYS 167 HG2 -0.07 -0.03 0.03 -0.04 1.46 1.36 1ci7A1 LYS 167 HG3 -0.09 -0.02 0.10 -0.04 1.46 1.40 1ci7A1 LYS 167 HD2 -0.03 -0.05 0.04 -0.04 1.69 1.61 1ci7A1 LYS 167 HD3 -0.03 -0.02 0.04 -0.04 1.68 1.63 1ci7A1 LYS 167 HE2 -0.13 0.01 0.13 -0.04 2.99 2.96 1ci7A1 LYS 167 HE3 -0.04 -0.01 0.07 -0.04 2.99 2.97 1ci7A1 MET 168 H -0.16 0.23 -1.07 -0.55 8.47 6.93 1ci7A1 MET 168 HA -0.21 0.14 0.80 -0.75 4.52 4.50 1ci7A1 MET 168 HB2 -0.15 0.11 -0.18 -0.04 2.15 1.88 1ci7A1 MET 168 HB3 -0.16 -0.07 -0.12 -0.04 2.03 1.64 1ci7A1 MET 168 HG2 -0.31 -0.01 -0.37 -0.04 2.63 1.90 1ci7A1 MET 168 HG3 -0.26 0.17 -0.31 -0.04 2.56 2.12 1ci7A1 MET 168 HE3 -0.32 -0.02 -0.01 -0.04 2.10 1.71 1ci7A1 ALA 169 H -0.04 0.54 0.28 -0.55 8.40 8.63 1ci7A1 ALA 169 HA 0.14 0.05 0.41 -0.75 4.34 4.19 1ci7A1 ALA 169 HB3 0.20 0.03 0.19 -0.04 1.41 1.79 1ci7A1 LEU 170 H 0.07 0.15 -0.29 -0.55 8.37 7.76 1ci7A1 LEU 170 HA 0.16 0.17 0.47 -0.75 4.35 4.39 1ci7A1 LEU 170 HB2 0.25 0.02 -0.34 -0.04 1.64 1.53 1ci7A1 LEU 170 HB3 0.30 -0.13 -0.10 -0.04 1.64 1.67 1ci7A1 LEU 170 HG 0.14 0.07 0.07 -0.04 1.64 1.89 1ci7A1 LEU 170 HD13 0.06 -0.06 -0.04 -0.04 0.93 0.85 1ci7A1 LEU 170 HD23 0.16 0.01 -0.06 -0.04 0.89 0.96 1ci7A1 PRO 171 HA -0.18 0.11 0.49 -0.51 4.44 4.34 1ci7A1 PRO 171 HB2 0.15 -0.00 0.00 -0.04 2.28 2.39 1ci7A1 PRO 171 HB3 -0.16 -0.01 0.08 -0.04 2.02 1.89 1ci7A1 PRO 171 HG2 0.06 -0.00 0.04 -0.04 2.03 2.09 1ci7A1 PRO 171 HG3 -0.05 0.14 0.02 -0.04 2.03 2.11 1ci7A1 PRO 171 HD2 0.11 0.03 0.15 -0.04 3.68 3.93 1ci7A1 PRO 171 HD3 0.07 0.22 0.10 -0.04 3.65 4.01 1ci7A1 PRO 172 HA -0.43 -0.06 0.31 -0.51 4.44 3.75 1ci7A1 PRO 172 HB2 0.35 -0.03 -0.10 -0.04 2.28 2.46 1ci7A1 PRO 172 HB3 -0.14 0.00 -0.10 -0.04 2.02 1.74 1ci7A1 PRO 172 HG2 -0.18 0.08 -0.20 -0.04 2.03 1.70 1ci7A1 PRO 172 HG3 -0.38 0.05 0.03 -0.04 2.03 1.69 1ci7A1 PRO 172 HD2 -0.51 0.04 0.14 -0.04 3.68 3.31 1ci7A1 PRO 172 HD3 -0.36 0.20 0.20 -0.04 3.65 3.65 1ci7A1 CYS 173 H 0.43 0.02 0.08 -0.55 8.50 8.47 1ci7A1 CYS 173 HA 0.29 0.19 0.78 -0.75 4.58 5.09 1ci7A1 CYS 173 HB2 0.33 0.08 0.10 -0.04 2.97 3.44 1ci7A1 CYS 173 HB3 0.38 -0.15 0.16 -0.04 2.97 3.32 1ci7A1 HIS 174 H 0.27 0.12 0.05 -0.55 8.41 8.30 1ci7A1 HIS 174 HA 0.25 0.09 0.72 -0.75 4.63 4.94 1ci7A1 HIS 174 HB2 0.13 0.10 0.03 -0.04 3.26 3.48 1ci7A1 HIS 174 HB3 0.23 -0.03 0.03 -0.04 3.20 3.39 1ci7A1 HIS 174 HD2 0.21 -0.03 0.01 -0.04 6.97 7.11 1ci7A1 HIS 174 HE1 -0.30 0.04 -0.05 -0.04 7.75 7.39 1ci7A1 MET 175 H 0.36 0.31 -0.03 -0.55 8.47 8.57 1ci7A1 MET 175 HA 0.43 -0.04 0.25 -0.75 4.52 4.41 1ci7A1 MET 175 HB2 0.33 -0.06 0.00 -0.04 2.15 2.38 1ci7A1 MET 175 HB3 0.50 0.08 -0.05 -0.04 2.03 2.52 1ci7A1 MET 175 HG2 0.34 0.01 0.15 -0.04 2.63 3.09 1ci7A1 MET 175 HG3 0.27 0.03 0.01 -0.04 2.56 2.82 1ci7A1 MET 175 HE3 -1.06 -0.01 -0.02 -0.04 2.10 0.98 1ci7A1 PHE 176 H 0.59 0.36 0.11 -0.55 8.34 8.84 1ci7A1 PHE 176 HA 0.28 0.22 0.50 -0.75 4.62 4.87 1ci7A1 PHE 176 HB2 0.13 0.11 0.15 -0.04 3.15 3.51 1ci7A1 PHE 176 HB3 0.22 -0.03 -0.29 -0.04 3.06 2.92 1ci7A1 PHE 176 HD2 0.10 -0.04 -0.04 -0.04 7.28 7.25 1ci7A1 PHE 176 HE2 -0.05 -0.00 -0.09 -0.04 7.38 7.20 1ci7A1 PHE 176 HZ -0.11 0.02 -0.09 -0.04 7.32 7.10 1ci7A1 CYS 177 H -0.07 0.56 0.33 -0.55 8.50 8.77 1ci7A1 CYS 177 HA -0.49 0.22 0.91 -0.75 4.58 4.47 1ci7A1 CYS 177 HB2 -0.39 0.06 -0.18 -0.04 2.97 2.42 1ci7A1 CYS 177 HB3 -0.25 -0.07 -0.19 -0.04 2.97 2.41 1ci7A1 GLN 178 H -0.43 0.49 0.33 -0.55 8.47 8.32 1ci7A1 GLN 178 HA -0.24 0.35 1.02 -0.75 4.36 4.73 1ci7A1 GLN 178 HB2 -0.20 -0.06 -0.06 -0.04 2.15 1.79 1ci7A1 GLN 178 HB3 -0.25 -0.04 0.12 -0.04 2.02 1.81 1ci7A1 GLN 178 HG2 -0.04 0.00 -0.37 -0.04 2.40 1.95 1ci7A1 GLN 178 HG3 -0.02 0.06 -0.06 -0.04 2.39 2.33 1ci7A1 GLN 178 HE21 0.02 -0.02 -0.07 -0.04 6.97 6.86 1ci7A1 GLN 178 HE22 0.03 0.01 -0.15 -0.04 7.69 7.53 1ci7A1 PHE 179 H 0.05 0.54 0.34 -0.55 8.34 8.71 1ci7A1 PHE 179 HA 0.04 0.21 1.01 -0.75 4.62 5.13 1ci7A1 PHE 179 HB2 -0.01 -0.02 0.08 -0.04 3.15 3.16 1ci7A1 PHE 179 HB3 0.02 0.06 0.08 -0.04 3.06 3.18 1ci7A1 PHE 179 HD2 -0.00 0.13 -0.07 -0.04 7.28 7.30 1ci7A1 PHE 179 HE2 -0.04 -0.04 -0.15 -0.04 7.38 7.11 1ci7A1 PHE 179 HZ -0.06 -0.07 -0.16 -0.04 7.32 6.98 1ci7A1 TYR 180 H 0.26 0.48 0.26 -0.55 8.29 8.75 1ci7A1 TYR 180 HA -0.00 0.16 0.66 -0.75 4.56 4.63 1ci7A1 TYR 180 HB2 -0.05 0.06 -0.32 -0.04 3.06 2.70 1ci7A1 TYR 180 HB3 -0.09 -0.11 -0.11 -0.04 2.98 2.64 1ci7A1 TYR 180 HD2 -0.35 -0.02 -0.35 -0.04 7.15 6.40 1ci7A1 TYR 180 HE2 -0.19 -0.02 -0.14 -0.04 6.85 6.45 1ci7A1 VAL 181 H -0.32 0.25 0.16 -0.55 8.24 7.78 1ci7A1 VAL 181 HA 0.06 0.39 1.31 -0.75 4.13 5.13 1ci7A1 VAL 181 HB 0.04 -0.13 -0.05 -0.04 2.12 1.94 1ci7A1 VAL 181 HG13 0.03 -0.01 0.06 -0.04 0.97 1.02 1ci7A1 VAL 181 HG23 0.09 0.04 -0.24 -0.04 0.95 0.81 1ci7A1 HIS 182 H 0.26 0.18 0.25 -0.55 8.41 8.54 1ci7A1 HIS 182 HA 0.09 0.06 0.78 -0.75 4.63 4.80 1ci7A1 HIS 182 HB2 0.09 -0.02 0.07 -0.04 3.26 3.36 1ci7A1 HIS 182 HB3 0.11 -0.01 0.02 -0.04 3.20 3.29 1ci7A1 HIS 182 HD2 0.13 0.10 0.18 -0.04 6.97 7.34 1ci7A1 HIS 182 HE1 -0.11 -0.04 -0.07 -0.04 7.75 7.48 1ci7A1 ILE 183 H 0.07 0.08 0.09 -0.55 8.25 7.95 1ci7A1 ILE 183 HA 0.12 0.19 0.46 -0.75 4.18 4.20 1ci7A1 ILE 183 HB 0.21 -0.09 -0.17 -0.04 1.89 1.79 1ci7A1 ILE 183 HG12 0.14 0.11 -0.08 -0.04 1.49 1.62 1ci7A1 ILE 183 HG13 0.42 -0.01 -0.10 -0.04 1.21 1.48 1ci7A1 ILE 183 HG23 0.12 -0.05 0.05 -0.04 0.93 1.01 1ci7A1 ILE 183 HD13 0.12 -0.03 0.11 -0.04 0.88 1.04 1ci7A1 PRO 184 HA 0.04 0.07 0.31 -0.51 4.44 4.35 1ci7A1 PRO 184 HB2 0.03 -0.37 0.27 -0.04 2.28 2.17 1ci7A1 PRO 184 HB3 0.03 0.04 0.16 -0.04 2.02 2.21 1ci7A1 PRO 184 HG2 0.05 0.02 0.22 -0.04 2.03 2.28 1ci7A1 PRO 184 HG3 0.04 0.04 0.16 -0.04 2.03 2.23 1ci7A1 PRO 184 HD2 0.08 0.16 0.32 -0.04 3.68 4.20 1ci7A1 PRO 184 HD3 0.06 0.16 0.18 -0.04 3.65 4.01 1ci7A1 SER 185 H 0.02 0.10 0.07 -0.55 8.46 8.10 1ci7A1 SER 185 HA 0.01 0.19 0.40 -0.75 4.49 4.34 1ci7A1 SER 185 HB2 0.01 -0.01 0.07 -0.04 3.95 3.98 1ci7A1 SER 185 HB3 0.02 0.00 0.10 -0.04 3.93 4.01 1ci7A1 ARG 189 HA 0.02 -0.04 0.17 -0.75 4.34 3.73 1ci7A1 ARG 189 HB2 0.08 -0.08 0.21 -0.04 1.90 2.08 1ci7A1 ARG 189 HB3 0.05 -0.03 0.22 -0.04 1.80 2.00 1ci7A1 ARG 189 HG2 0.04 -0.00 0.09 -0.04 1.67 1.77 1ci7A1 ARG 189 HG3 0.04 -0.10 -0.02 -0.04 1.67 1.55 1ci7A1 ARG 189 HD2 0.00 0.08 0.06 -0.04 3.22 3.33 1ci7A1 ARG 189 HD3 0.01 -0.04 0.01 -0.04 3.22 3.16 1ci7A1 PRO 190 HA 0.06 0.03 0.40 -0.51 4.44 4.41 1ci7A1 PRO 190 HB2 0.06 0.03 0.10 -0.04 2.28 2.43 1ci7A1 PRO 190 HB3 0.04 -0.05 0.21 -0.04 2.02 2.18 1ci7A1 PRO 190 HG2 0.05 0.04 0.11 -0.04 2.03 2.20 1ci7A1 PRO 190 HG3 0.03 -0.02 0.12 -0.04 2.03 2.12 1ci7A1 PRO 190 HD2 0.04 0.05 0.24 -0.04 3.68 3.97 1ci7A1 PRO 190 HD3 0.03 0.13 0.15 -0.04 3.65 3.92 1ci7A1 GLU 191 H 0.09 0.09 0.14 -0.55 8.60 8.37 1ci7A1 GLU 191 HA 0.15 -0.01 0.07 -0.75 4.29 3.74 1ci7A1 GLU 191 HB2 0.40 0.40 0.54 -0.04 2.09 3.40 1ci7A1 GLU 191 HB3 0.63 -0.19 0.14 -0.04 1.99 2.53 1ci7A1 GLU 191 HG2 0.09 -0.06 -0.12 -0.04 2.34 2.20 1ci7A1 GLU 191 HG3 0.11 0.25 -0.16 -0.04 2.34 2.49 1ci7A1 LEU 192 H 0.14 0.08 0.15 -0.55 8.37 8.19 1ci7A1 LEU 192 HA 0.14 0.36 1.01 -0.75 4.35 5.10 1ci7A1 LEU 192 HB2 0.05 0.08 -0.11 -0.04 1.64 1.63 1ci7A1 LEU 192 HB3 0.08 -0.12 0.09 -0.04 1.64 1.65 1ci7A1 LEU 192 HG 0.19 0.01 -0.19 -0.04 1.64 1.60 1ci7A1 LEU 192 HD13 0.08 0.04 -0.05 -0.04 0.93 0.96 1ci7A1 LEU 192 HD23 -0.12 0.04 -0.11 -0.04 0.89 0.65 1ci7A1 SER 193 H 0.21 0.58 0.21 -0.55 8.46 8.91 1ci7A1 SER 193 HA 0.21 0.21 0.93 -0.75 4.49 5.09 1ci7A1 SER 193 HB2 0.14 0.09 0.06 -0.04 3.95 4.20 1ci7A1 SER 193 HB3 0.14 0.01 0.10 -0.04 3.93 4.13 1ci7A1 CYS 194 H 0.18 0.42 0.41 -0.55 8.50 8.97 1ci7A1 CYS 194 HA -0.03 0.27 0.88 -0.75 4.58 4.95 1ci7A1 CYS 194 HB2 0.43 0.09 -0.22 -0.04 2.97 3.23 1ci7A1 CYS 194 HB3 0.41 -0.05 0.05 -0.04 2.97 3.34 1ci7A1 GLN 195 H -0.22 0.62 0.27 -0.55 8.47 8.60 1ci7A1 GLN 195 HA -0.23 0.34 1.24 -0.75 4.36 4.95 1ci7A1 GLN 195 HB2 -0.14 -0.03 -0.00 -0.04 2.15 1.94 1ci7A1 GLN 195 HB3 -0.17 0.00 0.17 -0.04 2.02 1.98 1ci7A1 GLN 195 HG2 -0.15 -0.08 -0.29 -0.04 2.40 1.84 1ci7A1 GLN 195 HG3 -0.15 0.13 -0.05 -0.04 2.39 2.29 1ci7A1 GLN 195 HE21 -0.08 0.00 -0.07 -0.04 6.97 6.78 1ci7A1 GLN 195 HE22 -0.11 -0.03 -0.07 -0.04 7.69 7.43 1ci7A1 LEU 196 H -0.25 0.46 0.33 -0.55 8.37 8.36 1ci7A1 LEU 196 HA -0.23 0.25 1.30 -0.75 4.35 4.92 1ci7A1 LEU 196 HB2 -0.40 0.07 -0.03 -0.04 1.64 1.24 1ci7A1 LEU 196 HB3 -0.34 -0.04 -0.08 -0.04 1.64 1.14 1ci7A1 LEU 196 HG -0.15 -0.00 -0.46 -0.04 1.64 0.98 1ci7A1 LEU 196 HD13 -0.69 -0.02 -0.15 -0.04 0.93 0.03 1ci7A1 LEU 196 HD23 -0.30 -0.02 0.12 -0.04 0.89 0.65 1ci7A1 TYR 197 H 0.11 0.75 0.39 -0.55 8.29 8.99 1ci7A1 TYR 197 HA 0.06 0.23 0.87 -0.75 4.56 4.96 1ci7A1 TYR 197 HB2 0.16 0.05 -0.02 -0.04 3.06 3.21 1ci7A1 TYR 197 HB3 0.44 -0.08 0.13 -0.04 2.98 3.44 1ci7A1 TYR 197 HD2 0.06 -0.02 -0.15 -0.04 7.15 6.99 1ci7A1 TYR 197 HE2 -0.03 0.03 -0.13 -0.04 6.85 6.67 1ci7A1 GLN 198 H -0.34 0.62 0.23 -0.55 8.47 8.43 1ci7A1 GLN 198 HA 0.15 0.12 1.08 -0.75 4.36 4.97 1ci7A1 GLN 198 HB2 0.27 0.03 -0.13 -0.04 2.15 2.28 1ci7A1 GLN 198 HB3 0.18 0.06 0.07 -0.04 2.02 2.29 1ci7A1 GLN 198 HG2 0.16 -0.11 -0.60 -0.04 2.40 1.82 1ci7A1 GLN 198 HG3 0.25 0.06 -0.34 -0.04 2.39 2.32 1ci7A1 GLN 198 HE21 0.28 -0.04 -0.15 -0.04 6.97 7.03 1ci7A1 GLN 198 HE22 0.32 0.02 -0.11 -0.04 7.69 7.89 1ci7A1 ARG 199 H 0.12 0.34 0.17 -0.55 8.46 8.54 1ci7A1 ARG 199 HA -0.03 -0.04 0.41 -0.75 4.34 3.92 1ci7A1 ARG 199 HB2 0.11 0.00 0.12 -0.04 1.90 2.10 1ci7A1 ARG 199 HB3 0.12 0.00 0.15 -0.04 1.80 2.03 1ci7A1 ARG 199 HG2 0.22 0.16 0.22 -0.04 1.67 2.22 1ci7A1 ARG 199 HG3 0.18 0.00 -0.22 -0.04 1.67 1.59 1ci7A1 ARG 199 HD2 0.16 -0.05 -0.00 -0.04 3.22 3.28 1ci7A1 ARG 199 HD3 0.10 -0.03 0.04 -0.04 3.22 3.29 1ci7A1 SER 200 H 0.17 0.14 -0.33 -0.55 8.46 7.89 1ci7A1 SER 200 HA 0.24 0.37 0.90 -0.75 4.49 5.24 1ci7A1 SER 200 HB2 0.18 0.02 -0.13 -0.04 3.95 3.98 1ci7A1 SER 200 HB3 0.23 -0.06 0.13 -0.04 3.93 4.19 1ci7A1 CYS 201 H 0.19 0.56 0.03 -0.55 8.50 8.74 1ci7A1 CYS 201 HA 0.11 0.08 0.87 -0.75 4.58 4.89 1ci7A1 CYS 201 HB2 -0.03 0.01 0.08 -0.04 2.97 2.99 1ci7A1 CYS 201 HB3 0.01 -0.06 -0.11 -0.04 2.97 2.77 1ci7A1 ASP 202 H 0.04 0.13 0.12 -0.55 8.40 8.15 1ci7A1 ASP 202 HA -0.34 0.28 0.73 -0.75 4.63 4.55 1ci7A1 ASP 202 HB2 0.13 0.17 0.05 -0.04 2.71 3.02 1ci7A1 ASP 202 HB3 0.09 -0.20 0.30 -0.04 2.70 2.85 1ci7A1 MET 203 H -0.12 0.61 0.13 -0.55 8.47 8.54 1ci7A1 MET 203 HA 0.13 -0.03 0.21 -0.75 4.52 4.08 1ci7A1 MET 203 HB2 -0.03 0.05 0.06 -0.04 2.15 2.19 1ci7A1 MET 203 HB3 -0.04 0.04 0.00 -0.04 2.03 1.99 1ci7A1 MET 203 HG2 -0.07 0.01 0.08 -0.04 2.63 2.60 1ci7A1 MET 203 HG3 -0.07 0.07 -0.06 -0.04 2.56 2.46 1ci7A1 MET 203 HE3 -0.30 0.01 -0.12 -0.04 2.10 1.66 1ci7A1 GLY 204 H 0.08 -0.10 -0.72 -0.55 8.43 7.14 1ci7A1 GLY 204 HA2 0.09 0.15 0.37 -0.51 4.01 4.11 1ci7A1 GLY 204 HA3 0.14 -0.06 0.24 -0.51 4.01 3.81 1ci7A1 LEU 205 H 0.10 -0.09 0.03 -0.55 8.37 7.87 1ci7A1 LEU 205 HA 0.07 0.26 0.86 -0.75 4.35 4.78 1ci7A1 LEU 205 HB2 0.01 -0.10 0.10 -0.04 1.64 1.61 1ci7A1 LEU 205 HB3 -0.01 -0.01 0.02 -0.04 1.64 1.60 1ci7A1 LEU 205 HG 0.04 -0.05 -0.11 -0.04 1.64 1.48 1ci7A1 LEU 205 HD13 -0.04 0.01 -0.05 -0.04 0.93 0.80 1ci7A1 LEU 205 HD23 -0.01 0.04 -0.09 -0.04 0.89 0.80 1ci7A1 GLY 206 H 0.08 -0.04 0.16 -0.55 8.43 8.09 1ci7A1 GLY 206 HA2 0.09 0.01 0.30 -0.51 4.01 3.90 1ci7A1 GLY 206 HA3 0.12 -0.10 0.41 -0.51 4.01 3.92 1ci7A1 VAL 207 H 0.15 0.09 -0.23 -0.55 8.24 7.70 1ci7A1 VAL 207 HA 0.35 -0.03 0.20 -0.75 4.13 3.91 1ci7A1 VAL 207 HB 0.26 0.15 -0.09 -0.04 2.12 2.40 1ci7A1 VAL 207 HG13 0.27 0.02 -0.21 -0.04 0.97 1.01 1ci7A1 VAL 207 HG23 0.08 -0.03 -0.23 -0.04 0.95 0.73 1ci7A1 PRO 208 HA -0.13 0.02 0.41 -0.51 4.44 4.23 1ci7A1 PRO 208 HB2 0.07 0.05 0.07 -0.04 2.28 2.43 1ci7A1 PRO 208 HB3 -0.07 -0.01 0.06 -0.04 2.02 1.95 1ci7A1 PRO 208 HG2 0.10 0.25 -0.07 -0.04 2.03 2.27 1ci7A1 PRO 208 HG3 -0.11 -0.02 -0.01 -0.04 2.03 1.84 1ci7A1 PRO 208 HD2 0.14 0.20 -0.92 -0.04 3.68 3.06 1ci7A1 PRO 208 HD3 0.22 0.04 -0.23 -0.04 3.65 3.63 1ci7A1 PHE 209 H 0.22 0.60 0.01 -0.55 8.34 8.62 1ci7A1 PHE 209 HA -0.05 -0.06 0.40 -0.75 4.62 4.15 1ci7A1 PHE 209 HB2 0.02 0.11 0.13 -0.04 3.15 3.37 1ci7A1 PHE 209 HB3 0.03 0.06 0.09 -0.04 3.06 3.20 1ci7A1 PHE 209 HD2 0.03 0.00 -0.15 -0.04 7.28 7.13 1ci7A1 PHE 209 HE2 -0.03 -0.02 -0.09 -0.04 7.38 7.20 1ci7A1 PHE 209 HZ -0.14 0.04 -0.35 -0.04 7.32 6.84 1ci7A1 ASN 210 H 0.20 0.54 -0.25 -0.55 8.53 8.47 1ci7A1 ASN 210 HA 0.08 -0.01 0.45 -0.75 4.76 4.53 1ci7A1 ASN 210 HB2 0.15 0.12 -0.07 -0.04 2.88 3.04 1ci7A1 ASN 210 HB3 0.02 -0.02 -0.07 -0.04 2.79 2.68 1ci7A1 ASN 210 HD21 0.32 -0.03 -0.11 -0.04 7.03 7.17 1ci7A1 ASN 210 HD22 0.29 0.01 -0.20 -0.04 7.74 7.79 1ci7A1 ILE 211 H -0.04 0.60 -0.14 -0.55 8.25 8.12 1ci7A1 ILE 211 HA -0.17 0.01 0.36 -0.75 4.18 3.63 1ci7A1 ILE 211 HB -0.32 0.15 0.18 -0.04 1.89 1.86 1ci7A1 ILE 211 HG12 0.34 -0.04 -0.05 -0.04 1.49 1.70 1ci7A1 ILE 211 HG13 0.20 0.15 -0.04 -0.04 1.21 1.48 1ci7A1 ILE 211 HG23 -0.74 -0.01 -0.09 -0.04 0.93 0.05 1ci7A1 ILE 211 HD13 -0.11 -0.03 -0.12 -0.04 0.88 0.58 1ci7A1 ALA 212 H -0.31 0.40 -0.20 -0.55 8.40 7.74 1ci7A1 ALA 212 HA -0.67 0.10 0.33 -0.75 4.34 3.34 1ci7A1 ALA 212 HB3 -0.35 0.03 0.05 -0.04 1.41 1.09 1ci7A1 SER 213 H -0.27 0.61 -0.01 -0.55 8.46 8.24 1ci7A1 SER 213 HA -0.22 0.00 0.25 -0.75 4.49 3.77 1ci7A1 SER 213 HB2 -0.17 0.08 0.11 -0.04 3.95 3.93 1ci7A1 SER 213 HB3 -0.04 0.03 0.09 -0.04 3.93 3.97 1ci7A1 TYR 214 H -0.13 0.61 -0.33 -0.55 8.29 7.89 1ci7A1 TYR 214 HA -0.10 0.05 0.70 -0.75 4.56 4.46 1ci7A1 TYR 214 HB2 -0.57 0.17 0.02 -0.04 3.06 2.64 1ci7A1 TYR 214 HB3 -0.33 -0.01 -0.09 -0.04 2.98 2.51 1ci7A1 TYR 214 HD2 -0.09 0.07 -0.07 -0.04 7.15 7.01 1ci7A1 TYR 214 HE2 -0.37 -0.02 -0.11 -0.04 6.85 6.31 1ci7A1 ALA 215 H -0.40 0.44 -0.28 -0.55 8.40 7.61 1ci7A1 ALA 215 HA -0.24 0.01 0.36 -0.75 4.34 3.72 1ci7A1 ALA 215 HB3 -0.29 0.05 0.11 -0.04 1.41 1.23 1ci7A1 LEU 216 H -0.03 0.60 -0.27 -0.55 8.37 8.13 1ci7A1 LEU 216 HA -0.05 0.06 0.36 -0.75 4.35 3.97 1ci7A1 LEU 216 HB2 -0.15 0.11 -0.01 -0.04 1.64 1.55 1ci7A1 LEU 216 HB3 -0.21 -0.06 -0.16 -0.04 1.64 1.18 1ci7A1 LEU 216 HG 0.19 0.06 -0.12 -0.04 1.64 1.73 1ci7A1 LEU 216 HD13 -0.35 -0.02 -0.20 -0.04 0.93 0.32 1ci7A1 LEU 216 HD23 -0.49 -0.00 -0.11 -0.04 0.89 0.24 1ci7A1 LEU 217 H -0.12 0.41 -0.14 -0.55 8.37 7.97 1ci7A1 LEU 217 HA -0.10 -0.02 0.33 -0.75 4.35 3.81 1ci7A1 LEU 217 HB2 -0.18 0.10 0.16 -0.04 1.64 1.68 1ci7A1 LEU 217 HB3 -0.08 0.06 0.11 -0.04 1.64 1.70 1ci7A1 LEU 217 HG -0.06 0.02 -0.20 -0.04 1.64 1.36 1ci7A1 LEU 217 HD13 -0.08 -0.02 -0.01 -0.04 0.93 0.78 1ci7A1 LEU 217 HD23 -0.31 -0.01 -0.07 -0.04 0.89 0.46 1ci7A1 THR 218 H 0.02 0.58 -0.40 -0.55 8.28 7.93 1ci7A1 THR 218 HA 0.06 -0.01 0.22 -0.75 4.39 3.90 1ci7A1 THR 218 HB 0.08 0.19 0.08 -0.04 4.32 4.62 1ci7A1 THR 218 HG23 0.17 -0.03 -0.19 -0.04 1.22 1.12 1ci7A1 CYS 219 H 0.01 0.44 -0.17 -0.55 8.50 8.24 1ci7A1 CYS 219 HA 0.04 0.02 0.37 -0.75 4.58 4.25 1ci7A1 CYS 219 HB2 -0.04 -0.01 0.14 -0.04 2.97 3.02 1ci7A1 CYS 219 HB3 0.00 -0.06 -0.02 -0.04 2.97 2.86 1ci7A1 MET 220 H -0.07 0.88 -0.07 -0.55 8.47 8.66 1ci7A1 MET 220 HA -0.05 -0.07 0.32 -0.75 4.52 3.96 1ci7A1 MET 220 HB2 -0.16 0.16 0.16 -0.04 2.15 2.27 1ci7A1 MET 220 HB3 -0.37 -0.12 -0.03 -0.04 2.03 1.47 1ci7A1 MET 220 HG2 -0.59 -0.11 -0.05 -0.04 2.63 1.84 1ci7A1 MET 220 HG3 -0.14 0.28 -0.03 -0.04 2.56 2.63 1ci7A1 MET 220 HE3 -0.76 -0.02 -0.09 -0.04 2.10 1.20 1ci7A1 ILE 221 H -0.10 0.82 -0.07 -0.55 8.25 8.36 1ci7A1 ILE 221 HA -0.03 -0.06 0.28 -0.75 4.18 3.61 1ci7A1 ILE 221 HB -0.25 -0.08 0.01 -0.04 1.89 1.53 1ci7A1 ILE 221 HG12 -0.20 0.07 -0.43 -0.04 1.49 0.89 1ci7A1 ILE 221 HG13 -0.16 -0.05 -0.07 -0.04 1.21 0.88 1ci7A1 ILE 221 HG23 -0.34 0.10 0.02 -0.04 0.93 0.66 1ci7A1 ILE 221 HD13 -0.52 -0.01 -0.16 -0.04 0.88 0.15 1ci7A1 ALA 222 H -0.03 0.66 -0.22 -0.55 8.40 8.26 1ci7A1 ALA 222 HA -0.03 -0.03 0.20 -0.75 4.34 3.73 1ci7A1 ALA 222 HB3 0.03 0.01 -0.22 -0.04 1.41 1.19 1ci7A1 HIS 223 H 0.12 0.58 -0.39 -0.55 8.41 8.17 1ci7A1 HIS 223 HA 0.01 0.07 0.38 -0.75 4.63 4.34 1ci7A1 HIS 223 HB2 0.04 0.04 0.08 -0.04 3.26 3.38 1ci7A1 HIS 223 HB3 0.13 0.10 0.17 -0.04 3.20 3.54 1ci7A1 HIS 223 HD2 0.01 0.00 0.01 -0.04 6.97 6.94 1ci7A1 HIS 223 HE1 -0.05 -0.05 0.07 -0.04 7.75 7.68 1ci7A1 VAL 224 H 0.12 0.41 -0.07 -0.55 8.24 8.15 1ci7A1 VAL 224 HA 0.03 0.03 0.39 -0.75 4.13 3.83 1ci7A1 VAL 224 HB 0.04 0.10 -0.07 -0.04 2.12 2.15 1ci7A1 VAL 224 HG13 0.02 0.04 -0.14 -0.04 0.97 0.85 1ci7A1 VAL 224 HG23 0.19 -0.03 -0.30 -0.04 0.95 0.77 1ci7A1 CYS 225 H -0.04 0.35 -0.65 -0.55 8.50 7.62 1ci7A1 CYS 225 HA -0.05 0.16 0.82 -0.75 4.58 4.76 1ci7A1 CYS 225 HB2 -0.05 -0.02 -0.02 -0.04 2.97 2.84 1ci7A1 CYS 225 HB3 -0.05 0.06 0.02 -0.04 2.97 2.96 1ci7A1 ASP 226 H -0.11 0.31 -0.26 -0.55 8.40 7.80 1ci7A1 ASP 226 HA -0.13 -0.01 0.36 -0.75 4.63 4.09 1ci7A1 ASP 226 HB2 -0.06 -0.04 -0.37 -0.04 2.71 2.20 1ci7A1 ASP 226 HB3 -0.05 0.13 0.18 -0.04 2.70 2.92 1ci7A1 LEU 227 H -0.04 0.03 -0.78 -0.55 8.37 7.03 1ci7A1 LEU 227 HA -0.00 0.02 0.24 -0.75 4.35 3.85 1ci7A1 LEU 227 HB2 0.00 -0.11 -0.14 -0.04 1.64 1.35 1ci7A1 LEU 227 HB3 0.03 -0.07 -0.12 -0.04 1.64 1.44 1ci7A1 LEU 227 HG -0.03 -0.03 -0.15 -0.04 1.64 1.39 1ci7A1 LEU 227 HD13 -0.00 0.03 -0.10 -0.04 0.93 0.82 1ci7A1 LEU 227 HD23 -0.01 0.04 -0.25 -0.04 0.89 0.63 1ci7A1 ASP 228 H 0.04 0.01 0.18 -0.55 8.40 8.08 1ci7A1 ASP 228 HA 0.03 0.22 0.77 -0.75 4.63 4.90 1ci7A1 ASP 228 HB2 0.05 -0.17 0.17 -0.04 2.71 2.72 1ci7A1 ASP 228 HB3 0.04 0.07 0.11 -0.04 2.70 2.88 1ci7A1 PRO 229 HA 0.10 0.10 0.52 -0.51 4.44 4.65 1ci7A1 PRO 229 HB2 0.10 0.02 -0.08 -0.04 2.28 2.28 1ci7A1 PRO 229 HB3 0.08 0.04 -0.01 -0.04 2.02 2.09 1ci7A1 PRO 229 HG2 0.07 0.07 -0.06 -0.04 2.03 2.07 1ci7A1 PRO 229 HG3 0.07 0.08 0.07 -0.04 2.03 2.20 1ci7A1 PRO 229 HD2 0.05 0.03 0.23 -0.04 3.68 3.95 1ci7A1 PRO 229 HD3 0.06 0.17 0.16 -0.04 3.65 4.00 1ci7A1 GLY 230 H 0.16 0.58 -0.18 -0.55 8.43 8.44 1ci7A1 GLY 230 HA2 0.09 0.19 0.85 -0.51 4.01 4.64 1ci7A1 GLY 230 HA3 0.19 -0.00 0.27 -0.51 4.01 3.95 1ci7A1 ASP 231 H 0.17 0.18 0.23 -0.55 8.40 8.44 1ci7A1 ASP 231 HA 0.16 0.07 1.00 -0.75 4.63 5.10 1ci7A1 ASP 231 HB2 0.09 0.15 0.14 -0.04 2.71 3.05 1ci7A1 ASP 231 HB3 0.07 -0.07 0.01 -0.04 2.70 2.67 1ci7A1 PHE 232 H 0.26 1.10 0.48 -0.55 8.34 9.63 1ci7A1 PHE 232 HA 0.07 0.20 1.13 -0.75 4.62 5.27 1ci7A1 PHE 232 HB2 0.09 0.04 -0.07 -0.04 3.15 3.16 1ci7A1 PHE 232 HB3 0.14 -0.03 0.10 -0.04 3.06 3.24 1ci7A1 PHE 232 HD2 0.12 0.02 -0.07 -0.04 7.28 7.31 1ci7A1 PHE 232 HE2 -0.08 -0.06 -0.15 -0.04 7.38 7.04 1ci7A1 PHE 232 HZ -0.41 -0.06 -0.18 -0.04 7.32 6.63 1ci7A1 ILE 233 H -0.36 0.95 0.45 -0.55 8.25 8.74 1ci7A1 ILE 233 HA -0.33 0.32 1.13 -0.75 4.18 4.55 1ci7A1 ILE 233 HB -0.20 -0.04 0.15 -0.04 1.89 1.76 1ci7A1 ILE 233 HG12 -0.13 0.03 -0.21 -0.04 1.49 1.15 1ci7A1 ILE 233 HG13 -0.09 -0.06 -0.29 -0.04 1.21 0.73 1ci7A1 ILE 233 HG23 -0.16 -0.00 -0.27 -0.04 0.93 0.46 1ci7A1 ILE 233 HD13 -0.10 0.00 -0.12 -0.04 0.88 0.62 1ci7A1 HIS 234 H -0.28 0.78 0.26 -0.55 8.41 8.63 1ci7A1 HIS 234 HA -0.37 0.08 0.83 -0.75 4.63 4.42 1ci7A1 HIS 234 HB2 -0.11 0.01 -0.00 -0.04 3.26 3.11 1ci7A1 HIS 234 HB3 -0.00 -0.06 0.19 -0.04 3.20 3.28 1ci7A1 HIS 234 HD2 -0.07 0.29 -0.17 -0.04 6.97 6.98 1ci7A1 HIS 234 HE1 0.13 -0.13 -0.10 -0.04 7.75 7.60 1ci7A1 VAL 235 H 0.01 0.83 0.40 -0.55 8.24 8.93 1ci7A1 VAL 235 HA -0.09 0.13 0.84 -0.75 4.13 4.25 1ci7A1 VAL 235 HB 0.08 0.06 0.11 -0.04 2.12 2.33 1ci7A1 VAL 235 HG13 0.07 -0.00 -0.09 -0.04 0.97 0.91 1ci7A1 VAL 235 HG23 -0.05 0.01 -0.13 -0.04 0.95 0.73 1ci7A1 MET 236 H -0.19 0.36 0.14 -0.55 8.47 8.24 1ci7A1 MET 236 HA -0.36 0.04 1.05 -0.75 4.52 4.49 1ci7A1 MET 236 HB2 -0.19 0.07 -0.05 -0.04 2.15 1.94 1ci7A1 MET 236 HB3 -0.15 -0.04 -0.15 -0.04 2.03 1.65 1ci7A1 MET 236 HG2 -0.43 -0.05 -0.28 -0.04 2.63 1.83 1ci7A1 MET 236 HG3 -0.39 -0.07 -0.88 -0.04 2.56 1.18 1ci7A1 MET 236 HE3 -0.18 0.02 -0.12 -0.04 2.10 1.77 1ci7A1 GLY 237 H -0.36 0.57 0.05 -0.55 8.43 8.14 1ci7A1 GLY 237 HA2 -0.30 0.10 0.60 -0.51 4.01 3.89 1ci7A1 GLY 237 HA3 0.03 0.00 0.43 -0.51 4.01 3.96 1ci7A1 ASP 238 H 0.18 0.64 0.29 -0.55 8.40 8.96 1ci7A1 ASP 238 HA 0.30 0.10 0.56 -0.75 4.63 4.84 1ci7A1 ASP 238 HB2 0.15 -0.01 0.19 -0.04 2.71 3.01 1ci7A1 ASP 238 HB3 0.10 -0.00 0.38 -0.04 2.70 3.13 1ci7A1 CYS 239 H 0.11 0.68 0.42 -0.55 8.50 9.16 1ci7A1 CYS 239 HA 0.09 -0.06 0.74 -0.75 4.58 4.60 1ci7A1 CYS 239 HB2 -0.04 0.04 0.02 -0.04 2.97 2.95 1ci7A1 CYS 239 HB3 0.02 0.11 0.22 -0.04 2.97 3.29 1ci7A1 HIS 240 H -0.22 0.49 0.39 -0.55 8.41 8.52 1ci7A1 HIS 240 HA -0.03 0.23 0.96 -0.75 4.63 5.04 1ci7A1 HIS 240 HB2 -0.16 -0.11 0.03 -0.04 3.26 2.99 1ci7A1 HIS 240 HB3 -0.04 0.02 -0.26 -0.04 3.20 2.87 1ci7A1 HIS 240 HD2 -0.47 -0.03 -0.22 -0.04 6.97 6.20 1ci7A1 HIS 240 HE1 0.06 -0.18 -0.25 -0.04 7.75 7.34 1ci7A1 ILE 241 H -0.02 0.44 0.35 -0.55 8.25 8.47 1ci7A1 ILE 241 HA -0.11 -0.00 0.72 -0.75 4.18 4.03 1ci7A1 ILE 241 HB -0.01 0.06 -0.02 -0.04 1.89 1.88 1ci7A1 ILE 241 HG12 -0.02 -0.08 0.06 -0.04 1.49 1.42 1ci7A1 ILE 241 HG13 -0.03 0.02 -0.46 -0.04 1.21 0.69 1ci7A1 ILE 241 HG23 0.05 -0.03 -0.30 -0.04 0.93 0.62 1ci7A1 ILE 241 HD13 -0.01 0.02 -0.07 -0.04 0.88 0.78 1ci7A1 TYR 242 H 0.14 0.15 0.09 -0.55 8.29 8.12 1ci7A1 TYR 242 HA 0.03 0.29 0.93 -0.75 4.56 5.06 1ci7A1 TYR 242 HB2 -0.02 -0.03 0.11 -0.04 3.06 3.08 1ci7A1 TYR 242 HB3 -0.11 0.03 0.01 -0.04 2.98 2.87 1ci7A1 TYR 242 HD2 0.06 0.04 -0.06 -0.04 7.15 7.15 1ci7A1 TYR 242 HE2 0.07 -0.05 -0.07 -0.04 6.85 6.75 1ci7A1 LYS 243 H 0.05 0.52 0.25 -0.55 8.42 8.68 1ci7A1 LYS 243 HA 0.03 0.04 0.33 -0.75 4.32 3.97 1ci7A1 LYS 243 HB2 0.02 0.08 0.01 -0.04 1.87 1.94 1ci7A1 LYS 243 HB3 0.02 -0.01 0.10 -0.04 1.79 1.86 1ci7A1 LYS 243 HG2 0.02 -0.10 -0.06 -0.04 1.46 1.28 1ci7A1 LYS 243 HG3 0.01 0.06 0.00 -0.04 1.46 1.49 1ci7A1 LYS 243 HD2 0.01 0.03 -0.03 -0.04 1.69 1.66 1ci7A1 LYS 243 HD3 0.01 0.02 -0.01 -0.04 1.68 1.65 1ci7A1 LYS 243 HE2 0.01 -0.04 -0.16 -0.04 2.99 2.76 1ci7A1 LYS 243 HE3 0.00 0.03 -0.04 -0.04 2.99 2.95 1ci7A1 ASP 244 H -0.01 0.18 -0.21 -0.55 8.40 7.81 1ci7A1 ASP 244 HA -0.02 0.04 0.34 -0.75 4.63 4.23 1ci7A1 ASP 244 HB2 -0.11 0.02 0.18 -0.04 2.71 2.76 1ci7A1 ASP 244 HB3 -0.07 -0.02 0.11 -0.04 2.70 2.68 1ci7A1 HIS 245 H 0.07 0.24 -1.10 -0.55 8.41 7.08 1ci7A1 HIS 245 HA 0.03 0.12 0.74 -0.75 4.63 4.77 1ci7A1 HIS 245 HB2 0.10 0.14 0.01 -0.04 3.26 3.47 1ci7A1 HIS 245 HB3 0.06 -0.02 0.06 -0.04 3.20 3.24 1ci7A1 HIS 245 HD2 0.02 0.18 0.20 -0.04 6.97 7.33 1ci7A1 HIS 245 HE1 -0.03 0.06 -0.17 -0.04 7.75 7.57 1ci7A1 ILE 246 H 0.08 0.87 0.30 -0.55 8.25 8.95 1ci7A1 ILE 246 HA 0.05 0.08 0.39 -0.75 4.18 3.95 1ci7A1 ILE 246 HB 0.03 -0.06 0.27 -0.04 1.89 2.09 1ci7A1 ILE 246 HG12 0.03 0.00 -0.01 -0.04 1.49 1.47 1ci7A1 ILE 246 HG13 0.04 0.03 0.27 -0.04 1.21 1.51 1ci7A1 ILE 246 HG23 0.02 0.02 -0.07 -0.04 0.93 0.86 1ci7A1 ILE 246 HD13 0.01 0.01 0.02 -0.04 0.88 0.88 1ci7A1 GLU 247 H 0.04 0.20 0.05 -0.55 8.60 8.34 1ci7A1 GLU 247 HA 0.02 0.04 0.34 -0.75 4.29 3.94 1ci7A1 GLU 247 HB2 0.02 0.04 0.06 -0.04 2.09 2.17 1ci7A1 GLU 247 HB3 0.02 0.02 0.11 -0.04 1.99 2.10 1ci7A1 GLU 247 HG2 0.03 0.07 -0.27 -0.04 2.34 2.13 1ci7A1 GLU 247 HG3 0.03 0.03 -0.05 -0.04 2.34 2.31 1ci7A1 ALA 248 H 0.07 -0.00 -1.00 -0.55 8.40 6.92 1ci7A1 ALA 248 HA 0.02 0.04 0.40 -0.75 4.34 4.04 1ci7A1 ALA 248 HB3 0.06 0.03 0.07 -0.04 1.41 1.53 1ci7A1 LEU 249 H 0.03 1.04 -0.13 -0.55 8.37 8.76 1ci7A1 LEU 249 HA 0.00 0.16 1.02 -0.75 4.35 4.78 1ci7A1 LEU 249 HB2 0.03 0.18 0.23 -0.04 1.64 2.04 1ci7A1 LEU 249 HB3 0.00 -0.05 -0.07 -0.04 1.64 1.48 1ci7A1 LEU 249 HG 0.03 -0.07 -0.07 -0.04 1.64 1.49 1ci7A1 LEU 249 HD13 0.01 -0.00 -0.01 -0.04 0.93 0.89 1ci7A1 LEU 249 HD23 0.04 0.12 -0.19 -0.04 0.89 0.81 1ci7A1 GLN 250 H 0.01 0.29 0.08 -0.55 8.47 8.30 1ci7A1 GLN 250 HA -0.01 0.06 0.36 -0.75 4.36 4.02 1ci7A1 GLN 250 HB2 0.00 0.04 0.06 -0.04 2.15 2.20 1ci7A1 GLN 250 HB3 -0.00 0.03 -0.00 -0.04 2.02 2.01 1ci7A1 GLN 250 HG2 0.00 0.02 -0.00 -0.04 2.40 2.37 1ci7A1 GLN 250 HG3 -0.00 0.02 0.02 -0.04 2.39 2.39 1ci7A1 GLN 250 HE21 0.01 -0.12 -0.20 -0.04 6.97 6.62 1ci7A1 GLN 250 HE22 0.00 0.04 -0.04 -0.04 7.69 7.64 1ci7A1 GLN 251 H -0.00 0.20 -0.48 -0.55 8.47 7.65 1ci7A1 GLN 251 HA -0.01 0.06 0.35 -0.75 4.36 4.00 1ci7A1 GLN 251 HB2 -0.01 -0.02 0.02 -0.04 2.15 2.10 1ci7A1 GLN 251 HB3 -0.00 0.09 0.05 -0.04 2.02 2.12 1ci7A1 GLN 251 HG2 -0.01 0.02 -0.02 -0.04 2.40 2.34 1ci7A1 GLN 251 HG3 -0.02 -0.05 -0.11 -0.04 2.39 2.17 1ci7A1 GLN 251 HE21 -0.00 -0.03 -0.06 -0.04 6.97 6.84 1ci7A1 GLN 251 HE22 -0.01 -0.02 -0.03 -0.04 7.69 7.59 1ci7A1 GLN 252 H -0.02 0.15 -0.26 -0.55 8.47 7.79 1ci7A1 GLN 252 HA -0.10 0.08 0.54 -0.75 4.36 4.13 1ci7A1 GLN 252 HB2 -0.03 0.02 0.13 -0.04 2.15 2.22 1ci7A1 GLN 252 HB3 -0.01 0.05 0.19 -0.04 2.02 2.22 1ci7A1 GLN 252 HG2 -0.01 -0.02 -0.26 -0.04 2.40 2.07 1ci7A1 GLN 252 HG3 -0.07 0.11 0.07 -0.04 2.39 2.46 1ci7A1 GLN 252 HE21 0.20 0.00 -0.10 -0.04 6.97 7.03 1ci7A1 GLN 252 HE22 0.14 -0.10 -0.11 -0.04 7.69 7.58 1ci7A1 LEU 253 H -0.02 0.85 0.02 -0.55 8.37 8.68 1ci7A1 LEU 253 HA -0.01 -0.03 0.34 -0.75 4.35 3.90 1ci7A1 LEU 253 HB2 -0.01 0.03 0.11 -0.04 1.64 1.73 1ci7A1 LEU 253 HB3 -0.01 -0.03 0.03 -0.04 1.64 1.58 1ci7A1 LEU 253 HG -0.02 0.07 -0.18 -0.04 1.64 1.48 1ci7A1 LEU 253 HD13 -0.01 -0.03 -0.12 -0.04 0.93 0.73 1ci7A1 LEU 253 HD23 -0.04 -0.03 -0.00 -0.04 0.89 0.78 1ci7A1 THR 254 H -0.04 0.20 -0.96 -0.55 8.28 6.93 1ci7A1 THR 254 HA -0.02 0.10 0.67 -0.75 4.39 4.39 1ci7A1 THR 254 HB -0.01 -0.11 0.09 -0.04 4.32 4.25 1ci7A1 THR 254 HG23 -0.01 -0.01 -0.03 -0.04 1.22 1.13 1ci7A1 ARG 255 H -0.12 0.58 -0.09 -0.55 8.46 8.28 1ci7A1 ARG 255 HA -0.13 0.02 0.61 -0.75 4.34 4.08 1ci7A1 ARG 255 HB2 -0.43 -0.01 0.08 -0.04 1.90 1.49 1ci7A1 ARG 255 HB3 -1.39 -0.06 0.07 -0.04 1.80 0.39 1ci7A1 ARG 255 HG2 -0.30 -0.03 0.05 -0.04 1.67 1.35 1ci7A1 ARG 255 HG3 -0.24 0.07 0.28 -0.04 1.67 1.73 1ci7A1 ARG 255 HD2 -0.52 0.18 0.17 -0.04 3.22 3.01 1ci7A1 ARG 255 HD3 -1.08 -0.09 0.06 -0.04 3.22 2.07 1ci7A1 SER 256 H 0.17 0.10 0.12 -0.55 8.46 8.30 1ci7A1 SER 256 HA 0.04 0.19 0.70 -0.75 4.49 4.66 1ci7A1 SER 256 HB2 0.14 -0.05 0.15 -0.04 3.95 4.15 1ci7A1 SER 256 HB3 0.07 0.05 0.00 -0.04 3.93 4.00 1ci7A1 PRO 257 HA 0.08 -0.12 0.33 -0.51 4.44 4.22 1ci7A1 PRO 257 HB2 -0.03 0.22 0.07 -0.04 2.28 2.51 1ci7A1 PRO 257 HB3 -0.04 -0.15 0.04 -0.04 2.02 1.83 1ci7A1 PRO 257 HG2 0.02 -0.12 0.02 -0.04 2.03 1.91 1ci7A1 PRO 257 HG3 0.03 0.03 0.01 -0.04 2.03 2.06 1ci7A1 PRO 257 HD2 0.02 0.05 0.18 -0.04 3.68 3.89 1ci7A1 PRO 257 HD3 0.02 0.51 0.33 -0.04 3.65 4.47 1ci7A1 ARG 258 H 0.12 -0.02 0.13 -0.55 8.46 8.14 1ci7A1 ARG 258 HA 0.04 0.11 0.65 -0.75 4.34 4.39 1ci7A1 ARG 258 HB2 0.09 -0.11 0.10 -0.04 1.90 1.94 1ci7A1 ARG 258 HB3 0.07 0.09 0.06 -0.04 1.80 1.98 1ci7A1 ARG 258 HG2 -0.02 0.22 0.13 -0.04 1.67 1.97 1ci7A1 ARG 258 HG3 0.01 -0.07 0.09 -0.04 1.67 1.66 1ci7A1 ARG 258 HD2 0.12 0.17 -0.05 -0.04 3.22 3.41 1ci7A1 ARG 258 HD3 0.18 -0.10 0.02 -0.04 3.22 3.28 1ci7A1 PRO 259 HA -0.13 -0.06 0.44 -0.51 4.44 4.19 1ci7A1 PRO 259 HB2 0.03 0.12 0.06 -0.04 2.28 2.45 1ci7A1 PRO 259 HB3 0.00 -0.01 0.14 -0.04 2.02 2.11 1ci7A1 PRO 259 HG2 0.05 0.08 0.04 -0.04 2.03 2.17 1ci7A1 PRO 259 HG3 0.04 -0.01 0.09 -0.04 2.03 2.11 1ci7A1 PRO 259 HD2 0.05 0.07 0.23 -0.04 3.68 3.99 1ci7A1 PRO 259 HD3 0.02 0.13 0.23 -0.04 3.65 3.99 1ci7A1 PHE 260 H -0.05 -0.04 0.17 -0.55 8.34 7.87 1ci7A1 PHE 260 HA 0.07 0.12 0.45 -0.75 4.62 4.50 1ci7A1 PHE 260 HB2 0.05 -0.08 0.07 -0.04 3.15 3.15 1ci7A1 PHE 260 HB3 0.01 0.26 -0.01 -0.04 3.06 3.29 1ci7A1 PHE 260 HD2 0.05 0.20 -0.08 -0.04 7.28 7.41 1ci7A1 PHE 260 HE2 0.11 -0.09 -0.34 -0.04 7.38 7.02 1ci7A1 PHE 260 HZ -0.03 -0.04 -0.14 -0.04 7.32 7.07 1ci7A1 PRO 261 HA 0.06 0.16 0.54 -0.51 4.44 4.69 1ci7A1 PRO 261 HB2 0.07 -0.01 -0.24 -0.04 2.28 2.06 1ci7A1 PRO 261 HB3 0.12 0.09 -0.90 -0.04 2.02 1.30 1ci7A1 PRO 261 HG2 0.09 0.00 -0.09 -0.04 2.03 1.99 1ci7A1 PRO 261 HG3 -0.05 -0.08 0.01 -0.04 2.03 1.87 1ci7A1 PRO 261 HD2 0.26 0.05 0.31 -0.04 3.68 4.26 1ci7A1 PRO 261 HD3 0.37 0.14 0.23 -0.04 3.65 4.35 1ci7A1 THR 262 H 0.04 0.62 0.28 -0.55 8.28 8.67 1ci7A1 THR 262 HA 0.09 0.24 1.07 -0.75 4.39 5.03 1ci7A1 THR 262 HB 0.02 -0.01 -0.04 -0.04 4.32 4.26 1ci7A1 THR 262 HG23 0.05 0.02 -0.23 -0.04 1.22 1.02 1ci7A1 LEU 263 H 0.01 0.86 0.27 -0.55 8.37 8.96 1ci7A1 LEU 263 HA -0.13 0.21 1.08 -0.75 4.35 4.75 1ci7A1 LEU 263 HB2 -0.58 -0.06 -0.18 -0.04 1.64 0.78 1ci7A1 LEU 263 HB3 -0.16 0.11 -0.00 -0.04 1.64 1.55 1ci7A1 LEU 263 HG -0.17 -0.04 -0.39 -0.04 1.64 1.00 1ci7A1 LEU 263 HD13 -0.26 0.02 -0.10 -0.04 0.93 0.55 1ci7A1 LEU 263 HD23 -0.64 -0.02 -0.13 -0.04 0.89 0.06 1ci7A1 SER 264 H -0.07 0.53 0.27 -0.55 8.46 8.65 1ci7A1 SER 264 HA -0.02 0.13 0.93 -0.75 4.49 4.77 1ci7A1 SER 264 HB2 -0.03 -0.02 0.16 -0.04 3.95 4.01 1ci7A1 SER 264 HB3 -0.02 0.07 0.05 -0.04 3.93 3.98 1ci7A1 LEU 265 H -0.03 0.13 0.12 -0.55 8.37 8.05 1ci7A1 LEU 265 HA -0.18 0.18 0.78 -0.75 4.35 4.38 1ci7A1 LEU 265 HB2 -0.14 0.02 0.06 -0.04 1.64 1.54 1ci7A1 LEU 265 HB3 -0.31 -0.07 0.08 -0.04 1.64 1.31 1ci7A1 LEU 265 HG -0.06 0.04 -0.14 -0.04 1.64 1.44 1ci7A1 LEU 265 HD13 -0.14 -0.01 -0.09 -0.04 0.93 0.64 1ci7A1 LEU 265 HD23 -0.00 -0.01 -0.11 -0.04 0.89 0.73 1ci7A1 ASN 266 H -0.27 0.23 0.25 -0.55 8.53 8.20 1ci7A1 ASN 266 HA -0.22 0.07 0.45 -0.75 4.76 4.31 1ci7A1 ASN 266 HB2 -0.17 0.17 -0.01 -0.04 2.88 2.82 1ci7A1 ASN 266 HB3 -0.24 0.18 -0.21 -0.04 2.79 2.48 1ci7A1 ASN 266 HD21 -0.15 0.05 -0.02 -0.04 7.03 6.88 1ci7A1 ASN 266 HD22 -0.38 0.03 0.04 -0.04 7.74 7.39 1ci7A1 ARG 267 H -0.13 -0.01 -0.24 -0.55 8.46 7.53 1ci7A1 ARG 267 HA -0.04 0.05 0.30 -0.75 4.34 3.90 1ci7A1 ARG 267 HB2 -0.08 -0.00 -0.13 -0.04 1.90 1.65 1ci7A1 ARG 267 HB3 -0.06 -0.00 0.11 -0.04 1.80 1.81 1ci7A1 ARG 267 HG2 -0.04 0.09 0.19 -0.04 1.67 1.87 1ci7A1 ARG 267 HG3 -0.05 -0.01 0.12 -0.04 1.67 1.70 1ci7A1 ARG 267 HD2 -0.03 -0.03 0.03 -0.04 3.22 3.15 1ci7A1 ARG 267 HD3 -0.03 -0.01 0.03 -0.04 3.22 3.16 1ci7A1 SER 268 H 0.02 0.20 0.10 -0.55 8.46 8.23 1ci7A1 SER 268 HA 0.14 0.12 0.36 -0.75 4.49 4.35 1ci7A1 SER 268 HB2 0.01 -0.03 0.05 -0.04 3.95 3.93 1ci7A1 SER 268 HB3 -0.02 0.02 0.07 -0.04 3.93 3.97 1ci7A1 ILE 269 H -0.15 0.02 -0.04 -0.55 8.25 7.53 1ci7A1 ILE 269 HA -0.22 0.14 0.65 -0.75 4.18 3.99 1ci7A1 ILE 269 HB -0.61 -0.07 0.07 -0.04 1.89 1.24 1ci7A1 ILE 269 HG12 -0.51 -0.07 0.03 -0.04 1.49 0.89 1ci7A1 ILE 269 HG13 -0.34 0.09 0.07 -0.04 1.21 0.99 1ci7A1 ILE 269 HG23 -1.13 -0.03 -0.14 -0.04 0.93 -0.41 1ci7A1 ILE 269 HD13 -0.20 0.03 -0.24 -0.04 0.88 0.43 1ci7A1 THR 270 H -0.14 0.12 0.04 -0.55 8.28 7.75 1ci7A1 THR 270 HA 0.03 0.30 0.90 -0.75 4.39 4.86 1ci7A1 THR 270 HB -0.01 0.10 0.00 -0.04 4.32 4.37 1ci7A1 THR 270 HG23 -0.04 0.01 -0.24 -0.04 1.22 0.91 1ci7A1 ASP 271 H -0.13 -0.10 -0.04 -0.55 8.40 7.58 1ci7A1 ASP 271 HA 0.01 0.42 1.04 -0.75 4.63 5.35 1ci7A1 ASP 271 HB2 -0.04 0.08 -0.33 -0.04 2.71 2.38 1ci7A1 ASP 271 HB3 -0.04 -0.20 -0.02 -0.04 2.70 2.41 1ci7A1 ILE 272 H 0.07 -0.00 -0.00 -0.55 8.25 7.76 1ci7A1 ILE 272 HA 0.67 0.03 0.23 -0.75 4.18 4.36 1ci7A1 ILE 272 HB 0.13 0.07 -0.26 -0.04 1.89 1.78 1ci7A1 ILE 272 HG12 0.11 -0.04 0.01 -0.04 1.49 1.53 1ci7A1 ILE 272 HG13 0.10 -0.05 -0.08 -0.04 1.21 1.14 1ci7A1 ILE 272 HG23 0.08 0.10 -0.05 -0.04 0.93 1.02 1ci7A1 ILE 272 HD13 -0.03 0.01 -0.07 -0.04 0.88 0.75 1ci7A1 GLU 273 H 0.08 0.13 -0.99 -0.55 8.60 7.27 1ci7A1 GLU 273 HA 0.13 0.20 0.59 -0.75 4.29 4.45 1ci7A1 GLU 273 HB2 0.04 -0.02 -0.05 -0.04 2.09 2.03 1ci7A1 GLU 273 HB3 0.06 0.01 0.02 -0.04 1.99 2.05 1ci7A1 GLU 273 HG2 0.07 0.06 -0.07 -0.04 2.34 2.36 1ci7A1 GLU 273 HG3 0.06 0.05 -0.13 -0.04 2.34 2.29 1ci7A1 ASP 274 H -0.00 -0.13 -0.30 -0.55 8.40 7.42 1ci7A1 ASP 274 HA 0.00 0.31 0.82 -0.75 4.63 5.01 1ci7A1 ASP 274 HB2 -0.19 -0.16 0.10 -0.04 2.71 2.42 1ci7A1 ASP 274 HB3 -0.12 0.06 0.15 -0.04 2.70 2.75 1ci7A1 PHE 275 H 0.24 0.26 -0.34 -0.55 8.34 7.95 1ci7A1 PHE 275 HA -0.07 0.22 0.97 -0.75 4.62 4.99 1ci7A1 PHE 275 HB2 0.11 0.08 -0.07 -0.04 3.15 3.23 1ci7A1 PHE 275 HB3 0.17 -0.00 -0.08 -0.04 3.06 3.11 1ci7A1 PHE 275 HD2 -0.30 0.04 -0.11 -0.04 7.28 6.87 1ci7A1 PHE 275 HE2 -0.25 -0.01 -0.04 -0.04 7.38 7.04 1ci7A1 PHE 275 HZ -0.16 0.14 -0.05 -0.04 7.32 7.20 1ci7A1 THR 276 H 0.17 0.27 0.15 -0.55 8.28 8.33 1ci7A1 THR 276 HA 0.18 0.15 0.53 -0.75 4.39 4.49 1ci7A1 THR 276 HB 0.07 -0.06 0.06 -0.04 4.32 4.34 1ci7A1 THR 276 HG23 0.06 0.03 -0.29 -0.04 1.22 0.98 1ci7A1 LEU 277 H 0.13 0.20 0.10 -0.55 8.37 8.25 1ci7A1 LEU 277 HA 0.26 0.05 0.34 -0.75 4.35 4.25 1ci7A1 LEU 277 HB2 0.07 -0.02 0.17 -0.04 1.64 1.81 1ci7A1 LEU 277 HB3 0.07 0.10 -0.03 -0.04 1.64 1.74 1ci7A1 LEU 277 HG 0.02 -0.03 0.08 -0.04 1.64 1.67 1ci7A1 LEU 277 HD13 0.01 0.02 0.04 -0.04 0.93 0.97 1ci7A1 LEU 277 HD23 -0.03 0.01 0.06 -0.04 0.89 0.89 1ci7A1 ASP 278 H 0.07 0.05 -0.21 -0.55 8.40 7.77 1ci7A1 ASP 278 HA 0.04 0.13 0.35 -0.75 4.63 4.39 1ci7A1 ASP 278 HB2 0.01 -0.04 -0.01 -0.04 2.71 2.63 1ci7A1 ASP 278 HB3 -0.00 0.08 0.01 -0.04 2.70 2.74 1ci7A1 ASP 279 H -0.01 0.45 -0.39 -0.55 8.40 7.90 1ci7A1 ASP 279 HA -0.15 0.18 0.48 -0.75 4.63 4.39 1ci7A1 ASP 279 HB2 -0.33 0.03 0.12 -0.04 2.71 2.49 1ci7A1 ASP 279 HB3 -0.30 -0.14 0.15 -0.04 2.70 2.38 1ci7A1 PHE 280 H 0.09 0.57 -0.28 -0.55 8.34 8.16 1ci7A1 PHE 280 HA -0.10 0.16 0.95 -0.75 4.62 4.88 1ci7A1 PHE 280 HB2 -0.09 0.05 0.16 -0.04 3.15 3.23 1ci7A1 PHE 280 HB3 -0.18 -0.02 -0.06 -0.04 3.06 2.75 1ci7A1 PHE 280 HD2 -0.14 0.08 -0.08 -0.04 7.28 7.10 1ci7A1 PHE 280 HE2 -0.20 -0.05 -0.22 -0.04 7.38 6.87 1ci7A1 PHE 280 HZ -0.48 -0.01 -0.14 -0.04 7.32 6.65 1ci7A1 ASN 281 H -0.04 0.49 0.19 -0.55 8.53 8.63 1ci7A1 ASN 281 HA 0.01 0.11 0.87 -0.75 4.76 4.99 1ci7A1 ASN 281 HB2 -0.02 0.09 -0.03 -0.04 2.88 2.88 1ci7A1 ASN 281 HB3 -0.03 0.01 0.15 -0.04 2.79 2.89 1ci7A1 ASN 281 HD21 0.00 -0.05 -0.03 -0.04 7.03 6.92 1ci7A1 ASN 281 HD22 -0.01 0.06 -0.03 -0.04 7.74 7.73 1ci7A1 ILE 282 H 0.00 0.18 0.07 -0.55 8.25 7.95 1ci7A1 ILE 282 HA -0.06 0.42 1.11 -0.75 4.18 4.89 1ci7A1 ILE 282 HB -0.02 -0.07 0.13 -0.04 1.89 1.90 1ci7A1 ILE 282 HG12 -0.28 0.12 -0.10 -0.04 1.49 1.19 1ci7A1 ILE 282 HG13 -0.12 -0.08 -0.50 -0.04 1.21 0.47 1ci7A1 ILE 282 HG23 -0.01 -0.00 -0.10 -0.04 0.93 0.78 1ci7A1 ILE 282 HD13 -0.17 -0.02 -0.11 -0.04 0.88 0.54 1ci7A1 GLN 283 H -0.00 0.35 0.09 -0.55 8.47 8.36 1ci7A1 GLN 283 HA 0.02 0.04 0.70 -0.75 4.36 4.37 1ci7A1 GLN 283 HB2 0.01 0.02 0.09 -0.04 2.15 2.23 1ci7A1 GLN 283 HB3 0.02 0.02 -0.01 -0.04 2.02 2.00 1ci7A1 GLN 283 HG2 0.01 -0.01 -0.08 -0.04 2.40 2.28 1ci7A1 GLN 283 HG3 0.00 0.01 -0.13 -0.04 2.39 2.24 1ci7A1 GLN 283 HE21 0.01 0.01 -0.03 -0.04 6.97 6.91 1ci7A1 GLN 283 HE22 0.01 -0.02 -0.03 -0.04 7.69 7.61 1ci7A1 ASN 284 H 0.01 0.12 0.22 -0.55 8.53 8.32 1ci7A1 ASN 284 HA -0.28 0.02 0.32 -0.75 4.76 4.07 1ci7A1 ASN 284 HB2 -0.04 0.23 0.24 -0.04 2.88 3.27 1ci7A1 ASN 284 HB3 -0.22 0.05 0.21 -0.04 2.79 2.78 1ci7A1 ASN 284 HD21 0.02 -0.02 -0.10 -0.04 7.03 6.89 1ci7A1 ASN 284 HD22 0.01 0.10 -0.19 -0.04 7.74 7.63 1ci7A1 TYR 285 H 0.08 0.11 0.04 -0.55 8.29 7.97 1ci7A1 TYR 285 HA -0.02 0.19 0.72 -0.75 4.56 4.69 1ci7A1 TYR 285 HB2 0.04 0.00 0.05 -0.04 3.06 3.11 1ci7A1 TYR 285 HB3 0.05 -0.05 0.22 -0.04 2.98 3.16 1ci7A1 TYR 285 HD2 0.07 0.01 0.08 -0.04 7.15 7.27 1ci7A1 TYR 285 HE2 0.09 0.12 0.00 -0.04 6.85 7.02 1ci7A1 HIS 286 H 0.09 0.29 0.06 -0.55 8.41 8.31 1ci7A1 HIS 286 HA -0.12 0.17 0.93 -0.75 4.63 4.86 1ci7A1 HIS 286 HB2 0.00 0.06 0.13 -0.04 3.26 3.41 1ci7A1 HIS 286 HB3 -0.06 -0.01 0.14 -0.04 3.20 3.22 1ci7A1 HIS 286 HD2 -0.00 0.23 -0.28 -0.04 6.97 6.87 1ci7A1 HIS 286 HE1 0.02 -0.02 -0.03 -0.04 7.75 7.67 1ci7A1 PRO 287 HA 0.03 0.20 0.63 -0.51 4.44 4.79 1ci7A1 PRO 287 HB2 -0.09 0.06 -0.08 -0.04 2.28 2.13 1ci7A1 PRO 287 HB3 -0.35 0.04 0.08 -0.04 2.02 1.75 1ci7A1 PRO 287 HG2 -0.25 0.04 -0.10 -0.04 2.03 1.67 1ci7A1 PRO 287 HG3 -0.76 -0.10 0.00 -0.04 2.03 1.14 1ci7A1 PRO 287 HD2 -0.35 0.24 -0.08 -0.04 3.68 3.45 1ci7A1 PRO 287 HD3 -1.42 0.00 -0.30 -0.04 3.65 1.89 1ci7A1 TYR 288 H 0.27 0.33 0.15 -0.55 8.29 8.49 1ci7A1 TYR 288 HA -0.03 0.09 0.66 -0.75 4.56 4.53 1ci7A1 TYR 288 HB2 -0.00 0.12 -0.05 -0.04 3.06 3.09 1ci7A1 TYR 288 HB3 -0.01 -0.11 0.13 -0.04 2.98 2.95 1ci7A1 TYR 288 HD2 -0.00 0.04 0.04 -0.04 7.15 7.19 1ci7A1 TYR 288 HE2 0.00 0.06 -0.04 -0.04 6.85 6.84 1ci7A1 GLU 289 H 0.12 0.07 0.12 -0.55 8.60 8.36 1ci7A1 GLU 289 HA 0.02 0.03 0.32 -0.75 4.29 3.90 1ci7A1 GLU 289 HB2 0.06 0.02 0.08 -0.04 2.09 2.21 1ci7A1 GLU 289 HB3 0.02 0.01 0.14 -0.04 1.99 2.12 1ci7A1 GLU 289 HG2 0.02 0.00 0.07 -0.04 2.34 2.39 1ci7A1 GLU 289 HG3 0.00 -0.00 0.08 -0.04 2.34 2.38 1ci7A1 THR 290 H 0.01 0.06 0.17 -0.55 8.28 7.97 1ci7A1 THR 290 HA 0.02 0.14 0.76 -0.75 4.39 4.55 1ci7A1 THR 290 HB 0.00 0.01 0.07 -0.04 4.32 4.36 1ci7A1 THR 290 HG23 -0.02 -0.01 0.01 -0.04 1.22 1.17 1ci7A1 ILE 291 H -0.00 0.20 0.11 -0.55 8.25 8.01 1ci7A1 ILE 291 HA -0.02 0.16 0.97 -0.75 4.18 4.54 1ci7A1 ILE 291 HB -0.03 -0.00 0.12 -0.04 1.89 1.94 1ci7A1 ILE 291 HG12 -0.01 0.04 -0.13 -0.04 1.49 1.34 1ci7A1 ILE 291 HG13 -0.00 -0.00 -0.38 -0.04 1.21 0.78 1ci7A1 ILE 291 HG23 -0.06 0.01 -0.19 -0.04 0.93 0.65 1ci7A1 ILE 291 HD13 -0.02 0.02 -0.01 -0.04 0.88 0.83 1ci7A1 LYS 292 H -0.02 0.17 0.06 -0.55 8.42 8.06 1ci7A1 LYS 292 HA -0.04 -0.01 0.38 -0.75 4.32 3.90 1ci7A1 LYS 292 HB2 -0.01 0.02 0.16 -0.04 1.87 2.00 1ci7A1 LYS 292 HB3 -0.02 -0.00 -0.02 -0.04 1.79 1.71 1ci7A1 LYS 292 HG2 -0.03 -0.00 0.00 -0.04 1.46 1.38 1ci7A1 LYS 292 HG3 -0.02 0.01 0.06 -0.04 1.46 1.46 1ci7A1 LYS 292 HD2 -0.01 0.01 0.03 -0.04 1.69 1.68 1ci7A1 LYS 292 HD3 -0.02 -0.01 -0.00 -0.04 1.68 1.61 1ci7A1 LYS 292 HE2 -0.02 0.02 0.01 -0.04 2.99 2.96 1ci7A1 LYS 292 HE3 -0.02 0.01 0.00 -0.04 2.99 2.94 1ci7A1 MET 293 H -0.05 0.15 0.25 -0.55 8.47 8.27 1ci7A1 MET 293 HA -0.03 0.20 0.97 -0.75 4.52 4.91 1ci7A1 MET 293 HB2 -0.10 -0.06 0.08 -0.04 2.15 2.02 1ci7A1 MET 293 HB3 -0.32 -0.02 -0.08 -0.04 2.03 1.57 1ci7A1 MET 293 HG2 -0.50 0.04 -0.17 -0.04 2.63 1.96 1ci7A1 MET 293 HG3 -0.16 0.28 -0.17 -0.04 2.56 2.47 1ci7A1 MET 293 HE3 -0.11 0.01 -0.04 -0.04 2.10 1.92 1ci7A1 LYS 294 H 0.35 0.00 0.11 -0.55 8.42 8.32 1ci7A1 LYS 294 HA 0.01 0.01 0.70 -0.75 4.32 4.28 1ci7A1 LYS 294 HB2 -0.04 0.02 -0.04 -0.04 1.87 1.77 1ci7A1 LYS 294 HB3 0.01 -0.00 0.02 -0.04 1.79 1.78 1ci7A1 LYS 294 HG2 -0.08 0.02 0.14 -0.04 1.46 1.51 1ci7A1 LYS 294 HG3 -0.02 0.00 0.05 -0.04 1.46 1.45 1ci7A1 LYS 294 HD2 0.40 0.00 0.22 -0.04 1.69 2.27 1ci7A1 LYS 294 HD3 0.15 0.10 0.10 -0.04 1.68 1.99 1ci7A1 LYS 294 HE2 0.04 -0.00 0.01 -0.04 2.99 2.99 1ci7A1 LYS 294 HE3 0.04 -0.06 -0.08 -0.04 2.99 2.85 1ci7A1 MET 295 H -0.05 0.10 0.16 -0.55 8.47 8.13 1ci7A1 MET 295 HA -0.12 0.04 0.23 -0.75 4.52 3.92 1ci7A1 MET 295 HB2 -0.09 0.07 0.17 -0.04 2.15 2.26 1ci7A1 MET 295 HB3 -0.10 -0.04 0.15 -0.04 2.03 2.00 1ci7A1 MET 295 HG2 -0.14 -0.11 0.05 -0.04 2.63 2.40 1ci7A1 MET 295 HG3 -0.13 0.06 0.04 -0.04 2.56 2.49 1ci7A1 MET 295 HE3 -0.17 0.02 0.05 -0.04 2.10 1.96 1ci7A1 SER 296 H -0.14 0.02 0.04 -0.55 8.46 7.83 1ci7A1 SER 296 HA -0.12 0.04 0.23 -0.75 4.49 3.90 1ci7A1 SER 296 HB2 -0.41 0.51 0.47 -0.04 3.95 4.48 1ci7A1 SER 296 HB3 -0.39 -0.07 -0.06 -0.04 3.93 3.37 1ci7A1 ILE 297 H -0.09 0.07 0.05 -0.55 8.25 7.72 1ci7A1 ILE 297 HA -0.16 0.00 0.15 -0.75 4.18 3.42 1ci7A1 ILE 297 HB -0.00 0.13 0.01 -0.04 1.89 1.98 1ci7A1 ILE 297 HG12 -0.13 -0.07 0.03 -0.04 1.49 1.28 1ci7A1 ILE 297 HG13 -0.08 -0.13 0.11 -0.04 1.21 1.07 1ci7A1 ILE 297 HG23 -0.24 0.02 -0.02 -0.04 0.93 0.65 1ci7A1 ILE 297 HD13 -0.01 0.03 -0.01 -0.04 0.88 0.84