============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 9 0.900 64.864 66.674 34.931 -99.200 -91.000 PHE 48 1.000 61.227 68.766 34.330 -99.200 -91.000 PHE 70 1.000 72.592 60.842 37.434 -99.200 -91.000 PHE 75 1.000 69.197 62.987 40.114 -99.200 -91.000 HIS 86 0.900 60.288 65.611 52.910 -99.200 -91.000 HIS 95 0.900 67.681 48.476 37.659 -99.200 -91.000 TYR 102 0.840 70.742 58.501 42.610 -99.200 -91.000 TYR 112 0.840 69.260 54.816 54.203 -99.200 -91.000 PHE 114 1.000 70.430 49.403 46.389 -99.200 -91.000 TYR 119 0.840 60.364 40.725 38.646 -99.200 -91.000 TYR 123 0.840 54.693 47.762 53.884 -99.200 -91.000 TYR 135 0.840 70.986 31.349 40.300 -99.200 -91.000 PHE 145 1.000 64.138 44.948 51.470 -99.200 -91.000 PHE 160 1.000 55.398 48.231 40.612 -99.200 -91.000 TYR 188 0.840 71.551 64.665 27.131 -99.200 -91.000 PHE 198 1.000 56.131 39.105 8.717 -99.200 -91.000 PHE 215 1.000 68.517 33.299 9.834 -99.200 -91.000 TRP 237 1.040 78.543 40.541 12.842 -99.200 -91.000 TRP6 237 1.020 78.071 38.517 13.993 -99.200 -91.000 TYR 257 0.840 60.431 40.975 17.514 -99.200 -91.000 HIS 268 0.900 65.181 41.327 21.498 -99.200 -91.000 HIS 274 0.900 55.172 46.461 21.589 -99.200 -91.000 PHE 290 1.000 60.821 28.813 23.453 -99.200 -91.000 TYR 295 0.840 50.838 30.516 17.353 -99.200 -91.000 PHE 302 1.000 72.192 28.694 11.595 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o96Z1 SER 1 HA 0.00 -0.00 0.27 -0.75 4.49 4.01 1o96Z1 SER 1 HB2 -0.01 -0.11 0.07 -0.04 3.95 3.86 1o96Z1 SER 1 HB3 0.01 0.06 -0.00 -0.04 3.93 3.95 1o96Z1 LYS 2 H 0.01 0.16 0.20 -0.55 8.42 8.24 1o96Z1 LYS 2 HA 0.01 0.37 1.02 -0.75 4.32 4.97 1o96Z1 LYS 2 HB2 0.03 0.07 0.09 -0.04 1.87 2.02 1o96Z1 LYS 2 HB3 0.01 -0.04 0.10 -0.04 1.79 1.82 1o96Z1 LYS 2 HG2 0.03 0.00 0.02 -0.04 1.46 1.48 1o96Z1 LYS 2 HG3 0.03 -0.04 -0.17 -0.04 1.46 1.25 1o96Z1 LYS 2 HD2 0.08 0.10 -0.03 -0.04 1.69 1.81 1o96Z1 LYS 2 HD3 0.13 -0.04 -0.01 -0.04 1.68 1.71 1o96Z1 LYS 2 HE2 0.09 -0.05 -0.08 -0.04 2.99 2.91 1o96Z1 LYS 2 HE3 0.05 0.00 -0.05 -0.04 2.99 2.96 1o96Z1 ILE 3 H -0.00 0.48 0.30 -0.55 8.25 8.48 1o96Z1 ILE 3 HA -0.02 0.20 0.62 -0.75 4.18 4.23 1o96Z1 ILE 3 HB -0.01 -0.04 0.16 -0.04 1.89 1.95 1o96Z1 ILE 3 HG12 0.02 0.08 -0.07 -0.04 1.49 1.48 1o96Z1 ILE 3 HG13 0.02 0.04 -0.10 -0.04 1.21 1.12 1o96Z1 ILE 3 HG23 -0.04 -0.01 -0.16 -0.04 0.93 0.67 1o96Z1 ILE 3 HD13 0.04 0.01 -0.03 -0.04 0.88 0.86 1o96Z1 LEU 4 H -0.04 0.36 0.21 -0.55 8.37 8.35 1o96Z1 LEU 4 HA -0.07 0.22 0.95 -0.75 4.35 4.70 1o96Z1 LEU 4 HB2 -0.07 0.03 0.05 -0.04 1.64 1.61 1o96Z1 LEU 4 HB3 -0.05 -0.04 0.17 -0.04 1.64 1.69 1o96Z1 LEU 4 HG -0.04 -0.06 -0.37 -0.04 1.64 1.13 1o96Z1 LEU 4 HD13 -0.13 0.09 -0.05 -0.04 0.93 0.80 1o96Z1 LEU 4 HD23 -0.02 -0.02 -0.13 -0.04 0.89 0.67 1o96Z1 VAL 5 H -0.05 0.64 0.33 -0.55 8.24 8.61 1o96Z1 VAL 5 HA -0.03 0.10 0.97 -0.75 4.13 4.42 1o96Z1 VAL 5 HB -0.03 0.02 0.03 -0.04 2.12 2.10 1o96Z1 VAL 5 HG13 -0.01 -0.03 -0.29 -0.04 0.97 0.60 1o96Z1 VAL 5 HG23 -0.04 0.02 -0.19 -0.04 0.95 0.70 1o96Z1 ILE 6 H 0.02 0.79 0.34 -0.55 8.25 8.85 1o96Z1 ILE 6 HA 0.02 0.14 1.20 -0.75 4.18 4.79 1o96Z1 ILE 6 HB 0.13 -0.05 0.29 -0.04 1.89 2.21 1o96Z1 ILE 6 HG12 0.05 0.05 -0.15 -0.04 1.49 1.40 1o96Z1 ILE 6 HG13 0.14 -0.07 -0.03 -0.04 1.21 1.21 1o96Z1 ILE 6 HG23 0.21 0.00 -0.02 -0.04 0.93 1.08 1o96Z1 ILE 6 HD13 -0.00 0.03 -0.05 -0.04 0.88 0.82 1o96Z1 ALA 7 H 0.02 0.33 0.20 -0.55 8.40 8.40 1o96Z1 ALA 7 HA 0.01 0.04 0.61 -0.75 4.34 4.25 1o96Z1 ALA 7 HB3 0.00 0.01 -0.01 -0.04 1.41 1.38 1o96Z1 GLU 8 H -0.02 0.20 0.17 -0.55 8.60 8.40 1o96Z1 GLU 8 HA -0.05 0.15 0.97 -0.75 4.29 4.61 1o96Z1 GLU 8 HB2 -0.04 0.09 -0.07 -0.04 2.09 2.03 1o96Z1 GLU 8 HB3 -0.04 -0.06 0.13 -0.04 1.99 1.97 1o96Z1 GLU 8 HG2 -0.08 -0.04 -0.13 -0.04 2.34 2.05 1o96Z1 GLU 8 HG3 -0.14 0.11 -0.00 -0.04 2.34 2.26 1o96Z1 HIS 9 H -0.42 0.29 0.25 -0.55 8.41 7.98 1o96Z1 HIS 9 HA -0.16 0.13 0.98 -0.75 4.63 4.83 1o96Z1 HIS 9 HB2 -0.62 0.09 -0.21 -0.04 3.26 2.49 1o96Z1 HIS 9 HB3 -0.90 -0.01 -0.14 -0.04 3.20 2.11 1o96Z1 HIS 9 HD2 -0.28 -0.03 -0.06 -0.04 6.97 6.56 1o96Z1 HIS 9 HE1 0.18 0.11 -0.02 -0.04 7.75 7.97 1o96Z1 ARG 10 H 0.07 0.69 0.25 -0.55 8.46 8.92 1o96Z1 ARG 10 HA 0.15 -0.02 0.34 -0.75 4.34 4.05 1o96Z1 ARG 10 HB2 0.05 -0.00 0.26 -0.04 1.90 2.16 1o96Z1 ARG 10 HB3 -0.01 -0.01 -0.05 -0.04 1.80 1.68 1o96Z1 ARG 10 HG2 -0.12 0.10 -0.35 -0.04 1.67 1.26 1o96Z1 ARG 10 HG3 0.11 -0.06 0.05 -0.04 1.67 1.73 1o96Z1 ARG 10 HD2 -0.03 0.03 -0.04 -0.04 3.22 3.14 1o96Z1 ARG 10 HD3 -0.05 0.04 -0.03 -0.04 3.22 3.14 1o96Z1 ARG 11 H 0.12 0.09 0.11 -0.55 8.46 8.22 1o96Z1 ARG 11 HA 0.01 0.01 0.33 -0.75 4.34 3.95 1o96Z1 ARG 11 HB2 -0.18 0.09 -0.12 -0.04 1.90 1.65 1o96Z1 ARG 11 HB3 -0.12 0.08 0.17 -0.04 1.80 1.89 1o96Z1 ARG 11 HG2 -0.39 -0.02 0.07 -0.04 1.67 1.29 1o96Z1 ARG 11 HG3 -1.03 -0.04 -0.01 -0.04 1.67 0.55 1o96Z1 ARG 11 HD2 -0.22 0.03 0.02 -0.04 3.22 3.01 1o96Z1 ARG 11 HD3 -0.75 -0.03 0.02 -0.04 3.22 2.42 1o96Z1 ASN 12 H 0.17 0.01 -0.04 -0.55 8.53 8.12 1o96Z1 ASN 12 HA 0.27 -0.02 0.13 -0.75 4.76 4.38 1o96Z1 ASN 12 HB2 0.02 0.11 0.12 -0.04 2.88 3.10 1o96Z1 ASN 12 HB3 -0.04 0.02 0.15 -0.04 2.79 2.88 1o96Z1 ASN 12 HD21 0.03 -0.00 -0.08 -0.04 7.03 6.93 1o96Z1 ASN 12 HD22 0.02 0.11 -0.25 -0.04 7.74 7.58 1o96Z1 ASP 13 H 0.20 0.22 -0.70 -0.55 8.40 7.57 1o96Z1 ASP 13 HA 0.23 0.20 0.95 -0.75 4.63 5.27 1o96Z1 ASP 13 HB2 0.06 0.08 0.03 -0.04 2.71 2.83 1o96Z1 ASP 13 HB3 0.07 0.04 -0.08 -0.04 2.70 2.69 1o96Z1 LEU 14 H 0.20 0.20 0.08 -0.55 8.37 8.30 1o96Z1 LEU 14 HA -0.06 -0.01 0.65 -0.75 4.35 4.17 1o96Z1 LEU 14 HB2 0.17 -0.01 0.03 -0.04 1.64 1.80 1o96Z1 LEU 14 HB3 0.07 0.03 0.06 -0.04 1.64 1.76 1o96Z1 LEU 14 HG -0.01 0.18 -0.16 -0.04 1.64 1.61 1o96Z1 LEU 14 HD13 -0.13 -0.04 -0.12 -0.04 0.93 0.60 1o96Z1 LEU 14 HD23 0.04 -0.00 -0.17 -0.04 0.89 0.72 1o96Z1 ARG 15 H -0.03 0.40 0.59 -0.55 8.46 8.86 1o96Z1 ARG 15 HA -0.01 0.13 0.68 -0.75 4.34 4.39 1o96Z1 ARG 15 HB2 -0.04 0.29 0.19 -0.04 1.90 2.30 1o96Z1 ARG 15 HB3 -0.03 -0.15 0.06 -0.04 1.80 1.64 1o96Z1 ARG 15 HG2 -0.02 0.10 0.01 -0.04 1.67 1.71 1o96Z1 ARG 15 HG3 -0.04 -0.09 -0.17 -0.04 1.67 1.33 1o96Z1 ARG 15 HD2 -0.04 -0.01 -0.09 -0.04 3.22 3.03 1o96Z1 ARG 15 HD3 -0.06 -0.10 -0.07 -0.04 3.22 2.95 1o96Z1 PRO 16 HA 0.01 0.14 0.25 -0.51 4.44 4.32 1o96Z1 PRO 16 HB2 -0.00 0.02 0.01 -0.04 2.28 2.27 1o96Z1 PRO 16 HB3 0.00 0.11 0.11 -0.04 2.02 2.20 1o96Z1 PRO 16 HG2 -0.01 0.03 0.11 -0.04 2.03 2.12 1o96Z1 PRO 16 HG3 -0.00 0.12 0.12 -0.04 2.03 2.23 1o96Z1 PRO 16 HD2 -0.01 -0.00 0.21 -0.04 3.68 3.84 1o96Z1 PRO 16 HD3 -0.00 0.24 0.32 -0.04 3.65 4.16 1o96Z1 VAL 17 H -0.00 0.13 -0.11 -0.55 8.24 7.70 1o96Z1 VAL 17 HA 0.02 0.04 0.46 -0.75 4.13 3.90 1o96Z1 VAL 17 HB 0.00 0.03 0.12 -0.04 2.12 2.22 1o96Z1 VAL 17 HG13 -0.02 0.00 -0.04 -0.04 0.97 0.87 1o96Z1 VAL 17 HG23 0.02 -0.01 0.01 -0.04 0.95 0.93 1o96Z1 SER 18 H -0.00 0.34 -0.28 -0.55 8.46 7.97 1o96Z1 SER 18 HA 0.00 -0.00 0.34 -0.75 4.49 4.07 1o96Z1 SER 18 HB2 -0.00 0.17 0.02 -0.04 3.95 4.10 1o96Z1 SER 18 HB3 -0.00 -0.00 0.06 -0.04 3.93 3.95 1o96Z1 LEU 19 H 0.01 0.48 -0.13 -0.55 8.37 8.19 1o96Z1 LEU 19 HA 0.02 0.13 0.71 -0.75 4.35 4.45 1o96Z1 LEU 19 HB2 0.02 0.12 0.20 -0.04 1.64 1.94 1o96Z1 LEU 19 HB3 0.02 0.00 0.06 -0.04 1.64 1.69 1o96Z1 LEU 19 HG 0.02 0.00 0.04 -0.04 1.64 1.67 1o96Z1 LEU 19 HD13 0.02 0.01 0.05 -0.04 0.93 0.97 1o96Z1 LEU 19 HD23 0.02 0.01 -0.06 -0.04 0.89 0.82 1o96Z1 GLU 20 H 0.03 0.26 -0.00 -0.55 8.60 8.35 1o96Z1 GLU 20 HA 0.07 0.13 0.12 -0.75 4.29 3.86 1o96Z1 GLU 20 HB2 0.06 0.16 0.21 -0.04 2.09 2.48 1o96Z1 GLU 20 HB3 0.13 -0.06 0.04 -0.04 1.99 2.06 1o96Z1 GLU 20 HG2 0.05 0.23 0.08 -0.04 2.34 2.66 1o96Z1 GLU 20 HG3 0.03 0.04 0.07 -0.04 2.34 2.44 1o96Z1 LEU 21 H 0.02 0.45 -0.12 -0.55 8.37 8.17 1o96Z1 LEU 21 HA -0.07 -0.00 0.43 -0.75 4.35 3.95 1o96Z1 LEU 21 HB2 -0.01 0.12 -0.10 -0.04 1.64 1.60 1o96Z1 LEU 21 HB3 -0.05 -0.03 -0.10 -0.04 1.64 1.42 1o96Z1 LEU 21 HG -0.00 0.08 -0.20 -0.04 1.64 1.47 1o96Z1 LEU 21 HD13 -0.01 -0.02 -0.27 -0.04 0.93 0.59 1o96Z1 LEU 21 HD23 -0.04 -0.03 -0.18 -0.04 0.89 0.61 1o96Z1 ILE 22 H 0.01 0.36 -0.40 -0.55 8.25 7.67 1o96Z1 ILE 22 HA -0.01 0.01 0.51 -0.75 4.18 3.93 1o96Z1 ILE 22 HB 0.01 0.17 0.21 -0.04 1.89 2.23 1o96Z1 ILE 22 HG12 -0.00 -0.01 -0.04 -0.04 1.49 1.40 1o96Z1 ILE 22 HG13 -0.00 -0.11 -0.04 -0.04 1.21 1.02 1o96Z1 ILE 22 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.75 1o96Z1 ILE 22 HD13 0.01 0.02 -0.00 -0.04 0.88 0.86 1o96Z1 GLY 23 H 0.04 0.34 -0.20 -0.55 8.43 8.06 1o96Z1 GLY 23 HA2 0.04 0.02 0.46 -0.51 4.01 4.02 1o96Z1 GLY 23 HA3 0.07 0.36 0.32 -0.51 4.01 4.26 1o96Z1 ALA 24 H 0.06 0.56 0.01 -0.55 8.40 8.48 1o96Z1 ALA 24 HA 0.05 0.05 0.48 -0.75 4.34 4.16 1o96Z1 ALA 24 HB3 -0.46 -0.01 0.03 -0.04 1.41 0.93 1o96Z1 ALA 25 H -0.07 0.62 -0.15 -0.55 8.40 8.26 1o96Z1 ALA 25 HA -0.05 -0.00 0.47 -0.75 4.34 4.00 1o96Z1 ALA 25 HB3 -0.03 0.01 0.03 -0.04 1.41 1.37 1o96Z1 ASN 26 H 0.01 0.36 -0.35 -0.55 8.53 8.00 1o96Z1 ASN 26 HA 0.02 0.05 0.50 -0.75 4.76 4.58 1o96Z1 ASN 26 HB2 0.03 0.05 0.16 -0.04 2.88 3.08 1o96Z1 ASN 26 HB3 0.02 -0.05 -0.05 -0.04 2.79 2.67 1o96Z1 ASN 26 HD21 0.01 0.06 0.03 -0.04 7.03 7.08 1o96Z1 ASN 26 HD22 0.01 0.73 0.14 -0.04 7.74 8.59 1o96Z1 GLY 27 H 0.05 0.76 0.05 -0.55 8.43 8.74 1o96Z1 GLY 27 HA2 0.06 -0.03 0.49 -0.51 4.01 4.02 1o96Z1 GLY 27 HA3 0.09 -0.02 0.26 -0.51 4.01 3.83 1o96Z1 LEU 28 H 0.02 0.28 -0.47 -0.55 8.37 7.65 1o96Z1 LEU 28 HA 0.06 0.04 0.52 -0.75 4.35 4.22 1o96Z1 LEU 28 HB2 -0.05 0.08 -0.02 -0.04 1.64 1.62 1o96Z1 LEU 28 HB3 0.01 -0.01 0.05 -0.04 1.64 1.65 1o96Z1 LEU 28 HG 0.01 -0.03 -0.24 -0.04 1.64 1.33 1o96Z1 LEU 28 HD13 -0.12 0.02 -0.26 -0.04 0.93 0.53 1o96Z1 LEU 28 HD23 -0.14 -0.04 -0.19 -0.04 0.89 0.48 1o96Z1 LYS 29 H 0.05 0.49 0.02 -0.55 8.42 8.43 1o96Z1 LYS 29 HA 0.12 -0.10 0.11 -0.75 4.32 3.71 1o96Z1 LYS 29 HB2 0.02 -0.08 -0.00 -0.04 1.87 1.77 1o96Z1 LYS 29 HB3 0.04 -0.05 -0.00 -0.04 1.79 1.74 1o96Z1 LYS 29 HG2 0.02 -0.08 -0.14 -0.04 1.46 1.22 1o96Z1 LYS 29 HG3 0.03 0.22 0.11 -0.04 1.46 1.78 1o96Z1 LYS 29 HD2 0.02 0.13 -0.04 -0.04 1.69 1.77 1o96Z1 LYS 29 HD3 0.02 0.09 -0.12 -0.04 1.68 1.63 1o96Z1 LYS 29 HE2 0.01 0.08 -0.14 -0.04 2.99 2.90 1o96Z1 LYS 29 HE3 0.01 -0.09 -0.01 -0.04 2.99 2.86 1o96Z1 LYS 30 H -0.03 0.04 0.12 -0.55 8.42 8.00 1o96Z1 LYS 30 HA 0.01 0.25 0.49 -0.75 4.32 4.32 1o96Z1 LYS 30 HB2 -0.17 -0.05 0.07 -0.04 1.87 1.69 1o96Z1 LYS 30 HB3 -0.10 -0.04 0.11 -0.04 1.79 1.72 1o96Z1 LYS 30 HG2 -0.25 0.01 0.03 -0.04 1.46 1.20 1o96Z1 LYS 30 HG3 -0.22 0.08 -0.05 -0.04 1.46 1.23 1o96Z1 LYS 30 HD2 -1.04 -0.00 -0.01 -0.04 1.69 0.59 1o96Z1 LYS 30 HD3 -0.39 -0.03 0.03 -0.04 1.68 1.25 1o96Z1 LYS 30 HE2 -0.44 0.24 0.13 -0.04 2.99 2.89 1o96Z1 LYS 30 HE3 -1.83 -0.08 -0.10 -0.04 2.99 0.94 1o96Z1 SER 31 H -0.02 0.12 -0.03 -0.55 8.46 7.99 1o96Z1 SER 31 HA -0.01 0.21 0.77 -0.75 4.49 4.70 1o96Z1 SER 31 HB2 -0.01 0.01 0.15 -0.04 3.95 4.05 1o96Z1 SER 31 HB3 -0.03 0.04 -0.10 -0.04 3.93 3.81 1o96Z1 GLY 32 H 0.00 0.15 0.12 -0.55 8.43 8.15 1o96Z1 GLY 32 HA2 0.01 0.17 0.46 -0.51 4.01 4.14 1o96Z1 GLY 32 HA3 0.00 -0.01 0.32 -0.51 4.01 3.82 1o96Z1 GLU 33 H -0.00 -0.07 -0.40 -0.55 8.60 7.58 1o96Z1 GLU 33 HA 0.00 0.10 0.43 -0.75 4.29 4.07 1o96Z1 ASP 34 H -0.00 0.06 -0.24 -0.55 8.40 7.67 1o96Z1 ASP 34 HA 0.00 0.16 0.55 -0.75 4.63 4.59 1o96Z1 ASP 34 HB2 0.01 0.15 0.08 -0.04 2.71 2.90 1o96Z1 ASP 34 HB3 0.01 0.06 -0.02 -0.04 2.70 2.71 1o96Z1 LYS 35 H 0.01 0.32 0.23 -0.55 8.42 8.43 1o96Z1 LYS 35 HA 0.01 0.17 0.85 -0.75 4.32 4.60 1o96Z1 VAL 36 H 0.00 0.24 0.18 -0.55 8.24 8.11 1o96Z1 VAL 36 HA -0.01 0.19 1.05 -0.75 4.13 4.60 1o96Z1 VAL 36 HB -0.00 0.28 0.33 -0.04 2.12 2.69 1o96Z1 VAL 36 HG13 -0.01 -0.03 -0.08 -0.04 0.97 0.80 1o96Z1 VAL 36 HG23 -0.00 0.00 -0.07 -0.04 0.95 0.84 1o96Z1 VAL 37 H -0.04 0.56 0.32 -0.55 8.24 8.53 1o96Z1 VAL 37 HA -0.06 0.16 1.06 -0.75 4.13 4.54 1o96Z1 VAL 37 HB -0.14 -0.01 0.13 -0.04 2.12 2.06 1o96Z1 VAL 37 HG13 -0.39 -0.01 -0.21 -0.04 0.97 0.31 1o96Z1 VAL 37 HG23 -0.04 0.01 -0.15 -0.04 0.95 0.73 1o96Z1 VAL 38 H -0.04 0.66 0.42 -0.55 8.24 8.73 1o96Z1 VAL 38 HA -0.04 0.23 1.06 -0.75 4.13 4.62 1o96Z1 VAL 38 HB -0.01 0.09 0.19 -0.04 2.12 2.35 1o96Z1 VAL 38 HG13 0.00 -0.03 -0.11 -0.04 0.97 0.79 1o96Z1 VAL 38 HG23 -0.01 -0.00 -0.07 -0.04 0.95 0.83 1o96Z1 ALA 39 H -0.03 0.41 0.37 -0.55 8.40 8.61 1o96Z1 ALA 39 HA -0.03 0.30 1.10 -0.75 4.34 4.96 1o96Z1 ALA 39 HB3 -0.07 0.00 -0.00 -0.04 1.41 1.31 1o96Z1 VAL 40 H 0.00 0.71 0.31 -0.55 8.24 8.71 1o96Z1 VAL 40 HA 0.04 0.10 0.88 -0.75 4.13 4.40 1o96Z1 VAL 40 HB 0.04 0.01 -0.13 -0.04 2.12 2.00 1o96Z1 VAL 40 HG13 0.08 0.03 -0.00 -0.04 0.97 1.04 1o96Z1 VAL 40 HG23 0.06 -0.02 -0.11 -0.04 0.95 0.85 1o96Z1 ILE 41 H 0.03 0.21 0.14 -0.55 8.25 8.08 1o96Z1 ILE 41 HA -0.07 0.35 1.02 -0.75 4.18 4.73 1o96Z1 ILE 41 HB -0.92 -0.05 0.06 -0.04 1.89 0.94 1o96Z1 ILE 41 HG12 -0.27 0.06 -0.18 -0.04 1.49 1.06 1o96Z1 ILE 41 HG13 -0.29 -0.02 -0.33 -0.04 1.21 0.54 1o96Z1 ILE 41 HG23 -0.32 -0.01 -0.14 -0.04 0.93 0.42 1o96Z1 ILE 41 HD13 -0.77 0.00 -0.07 -0.04 0.88 -0.00 1o96Z1 GLY 42 H 0.02 0.64 0.32 -0.55 8.43 8.87 1o96Z1 GLY 42 HA2 0.14 0.13 0.44 -0.51 4.01 4.21 1o96Z1 GLY 42 HA3 0.23 0.11 0.48 -0.51 4.01 4.33 1o96Z1 SER 43 H 0.08 0.65 0.15 -0.55 8.46 8.80 1o96Z1 SER 43 HA 0.03 0.09 0.62 -0.75 4.49 4.47 1o96Z1 SER 43 HB2 0.02 0.02 -0.02 -0.04 3.95 3.94 1o96Z1 SER 43 HB3 0.03 0.15 -0.24 -0.04 3.93 3.84 1o96Z1 GLN 44 H 0.07 0.11 -0.25 -0.55 8.47 7.85 1o96Z1 GLN 44 HA -0.01 0.21 0.65 -0.75 4.36 4.46 1o96Z1 GLN 44 HB2 0.03 -0.05 0.06 -0.04 2.15 2.15 1o96Z1 GLN 44 HB3 -0.05 -0.00 0.19 -0.04 2.02 2.12 1o96Z1 GLN 44 HG2 -0.02 0.03 0.02 -0.04 2.40 2.40 1o96Z1 GLN 44 HG3 0.01 0.12 -0.20 -0.04 2.39 2.27 1o96Z1 GLN 44 HE21 0.03 -0.01 -0.03 -0.04 6.97 6.91 1o96Z1 GLN 44 HE22 0.02 0.06 -0.07 -0.04 7.69 7.66 1o96Z1 ALA 45 H 0.04 0.38 -0.28 -0.55 8.40 7.99 1o96Z1 ALA 45 HA 0.18 0.13 0.34 -0.75 4.34 4.23 1o96Z1 ALA 45 HB3 0.14 0.04 -0.23 -0.04 1.41 1.31 1o96Z1 ASP 46 H -0.02 0.13 -0.20 -0.55 8.40 7.77 1o96Z1 ASP 46 HA 0.00 0.10 0.31 -0.75 4.63 4.29 1o96Z1 ASP 46 HB2 -0.05 -0.01 -0.04 -0.04 2.71 2.57 1o96Z1 ASP 46 HB3 -0.03 0.06 -0.03 -0.04 2.70 2.66 1o96Z1 ALA 47 H -0.20 0.10 -0.42 -0.55 8.40 7.34 1o96Z1 ALA 47 HA -0.23 0.06 0.36 -0.75 4.34 3.78 1o96Z1 ALA 47 HB3 -0.56 0.03 -0.00 -0.04 1.41 0.83 1o96Z1 PHE 48 H -0.26 0.49 -0.55 -0.55 8.34 7.46 1o96Z1 PHE 48 HA -0.02 0.09 0.53 -0.75 4.62 4.47 1o96Z1 PHE 48 HB2 -0.04 0.12 -0.05 -0.04 3.15 3.14 1o96Z1 PHE 48 HB3 -0.00 -0.07 -0.03 -0.04 3.06 2.92 1o96Z1 PHE 48 HD2 -0.11 0.10 -0.07 -0.04 7.28 7.15 1o96Z1 PHE 48 HE2 -0.39 -0.03 -0.39 -0.04 7.38 6.53 1o96Z1 PHE 48 HZ -0.18 -0.16 -0.31 -0.04 7.32 6.63 1o96Z1 VAL 49 H 0.01 0.58 -0.10 -0.55 8.24 8.18 1o96Z1 VAL 49 HA 0.06 0.02 0.23 -0.75 4.13 3.68 1o96Z1 VAL 49 HB 0.03 -0.01 -0.00 -0.04 2.12 2.09 1o96Z1 VAL 49 HG13 0.01 0.05 0.04 -0.04 0.97 1.03 1o96Z1 VAL 49 HG23 0.01 0.01 -0.14 -0.04 0.95 0.78 1o96Z1 PRO 50 HA 0.01 0.13 0.46 -0.51 4.44 4.53 1o96Z1 PRO 50 HB2 0.01 0.03 -0.08 -0.04 2.28 2.19 1o96Z1 PRO 50 HB3 0.00 0.03 0.06 -0.04 2.02 2.06 1o96Z1 PRO 50 HG2 -0.03 0.07 0.02 -0.04 2.03 2.05 1o96Z1 PRO 50 HG3 -0.02 0.01 0.01 -0.04 2.03 2.00 1o96Z1 PRO 50 HD2 -0.02 0.19 -0.20 -0.04 3.68 3.61 1o96Z1 PRO 50 HD3 -0.02 0.11 0.00 -0.04 3.65 3.70 1o96Z1 ALA 51 H 0.06 0.24 -0.23 -0.55 8.40 7.93 1o96Z1 ALA 51 HA 0.04 0.13 0.51 -0.75 4.34 4.27 1o96Z1 ALA 51 HB3 0.10 -0.01 0.04 -0.04 1.41 1.50 1o96Z1 LEU 52 H 0.07 0.32 -0.32 -0.55 8.37 7.90 1o96Z1 LEU 52 HA 0.04 0.11 0.66 -0.75 4.35 4.41 1o96Z1 LEU 52 HB2 0.07 0.12 -0.09 -0.04 1.64 1.71 1o96Z1 LEU 52 HB3 0.04 -0.05 0.01 -0.04 1.64 1.60 1o96Z1 LEU 52 HG 0.09 -0.02 -0.22 -0.04 1.64 1.45 1o96Z1 LEU 52 HD13 0.05 -0.04 -0.18 -0.04 0.93 0.72 1o96Z1 LEU 52 HD23 0.02 0.01 -0.08 -0.04 0.89 0.80 1o96Z1 SER 53 H 0.03 0.23 -0.27 -0.55 8.46 7.90 1o96Z1 SER 53 HA 0.02 0.09 0.61 -0.75 4.49 4.45 1o96Z1 SER 53 HB2 0.02 0.01 0.23 -0.04 3.95 4.16 1o96Z1 SER 53 HB3 0.01 0.08 0.11 -0.04 3.93 4.09 1o96Z1 VAL 54 H 0.02 0.27 -0.46 -0.55 8.24 7.53 1o96Z1 VAL 54 HA 0.01 0.12 0.73 -0.75 4.13 4.24 1o96Z1 VAL 54 HB 0.02 0.09 0.05 -0.04 2.12 2.24 1o96Z1 VAL 54 HG13 0.02 -0.03 -0.25 -0.04 0.97 0.67 1o96Z1 VAL 54 HG23 0.02 0.01 -0.15 -0.04 0.95 0.79 1o96Z1 ASN 55 H 0.01 0.62 -0.15 -0.55 8.53 8.46 1o96Z1 ASN 55 HA 0.01 0.01 0.39 -0.75 4.76 4.42 1o96Z1 ASN 55 HB2 0.01 0.08 -0.16 -0.04 2.88 2.76 1o96Z1 ASN 55 HB3 0.01 -0.11 -0.18 -0.04 2.79 2.48 1o96Z1 ASN 55 HD21 0.01 -0.08 0.03 -0.04 7.03 6.96 1o96Z1 ASN 55 HD22 0.01 0.27 0.01 -0.04 7.74 7.99 1o96Z1 GLY 56 H 0.01 0.15 0.15 -0.55 8.43 8.19 1o96Z1 GLY 56 HA2 0.01 0.01 0.30 -0.51 4.01 3.82 1o96Z1 GLY 56 HA3 0.01 0.12 0.33 -0.51 4.01 3.97 1o96Z1 VAL 57 H 0.01 0.42 -0.47 -0.55 8.24 7.66 1o96Z1 VAL 57 HA 0.00 0.08 0.80 -0.75 4.13 4.26 1o96Z1 VAL 57 HB 0.01 0.07 0.08 -0.04 2.12 2.24 1o96Z1 VAL 57 HG13 0.00 -0.01 -0.05 -0.04 0.97 0.87 1o96Z1 VAL 57 HG23 0.01 0.04 -0.05 -0.04 0.95 0.91 1o96Z1 ASP 58 H -0.00 0.55 0.42 -0.55 8.40 8.82 1o96Z1 ASP 58 HA 0.01 0.15 0.91 -0.75 4.63 4.94 1o96Z1 ASP 58 HB2 0.00 0.06 0.17 -0.04 2.71 2.90 1o96Z1 ASP 58 HB3 0.01 -0.02 0.09 -0.04 2.70 2.73 1o96Z1 GLU 59 H -0.00 0.20 0.39 -0.55 8.60 8.64 1o96Z1 GLU 59 HA 0.01 0.30 0.83 -0.75 4.29 4.67 1o96Z1 GLU 59 HB2 -0.01 -0.08 0.02 -0.04 2.09 1.98 1o96Z1 GLU 59 HB3 0.02 -0.01 -0.05 -0.04 1.99 1.91 1o96Z1 GLU 59 HG2 0.03 0.05 0.04 -0.04 2.34 2.42 1o96Z1 GLU 59 HG3 0.03 -0.04 -0.38 -0.04 2.34 1.91 1o96Z1 LEU 60 H 0.01 0.57 0.25 -0.55 8.37 8.65 1o96Z1 LEU 60 HA -0.01 0.28 0.96 -0.75 4.35 4.83 1o96Z1 LEU 60 HB2 0.01 0.01 -0.23 -0.04 1.64 1.39 1o96Z1 LEU 60 HB3 0.01 -0.10 0.02 -0.04 1.64 1.53 1o96Z1 LEU 60 HG 0.01 0.08 -0.12 -0.04 1.64 1.57 1o96Z1 LEU 60 HD13 0.03 -0.03 -0.20 -0.04 0.93 0.69 1o96Z1 LEU 60 HD23 0.02 0.02 -0.17 -0.04 0.89 0.72 1o96Z1 VAL 61 H -0.03 0.84 0.40 -0.55 8.24 8.91 1o96Z1 VAL 61 HA 0.01 0.17 0.98 -0.75 4.13 4.53 1o96Z1 VAL 61 HB -0.05 -0.07 0.09 -0.04 2.12 2.05 1o96Z1 VAL 61 HG13 0.02 -0.01 -0.22 -0.04 0.97 0.72 1o96Z1 VAL 61 HG23 -0.06 0.02 -0.19 -0.04 0.95 0.68 1o96Z1 VAL 62 H 0.01 0.96 0.34 -0.55 8.24 9.01 1o96Z1 VAL 62 HA 0.02 0.17 1.02 -0.75 4.13 4.59 1o96Z1 VAL 62 HB 0.01 -0.00 0.21 -0.04 2.12 2.30 1o96Z1 VAL 62 HG13 0.03 -0.03 -0.25 -0.04 0.97 0.68 1o96Z1 VAL 62 HG23 0.03 0.02 -0.11 -0.04 0.95 0.85 1o96Z1 VAL 63 H -0.01 0.88 0.26 -0.55 8.24 8.82 1o96Z1 VAL 63 HA -0.02 0.34 0.78 -0.75 4.13 4.48 1o96Z1 VAL 63 HB -0.09 -0.13 0.08 -0.04 2.12 1.93 1o96Z1 VAL 63 HG13 -0.06 -0.01 -0.27 -0.04 0.97 0.59 1o96Z1 VAL 63 HG23 -0.05 0.03 -0.23 -0.04 0.95 0.66 1o96Z1 LYS 64 H -0.01 0.54 0.29 -0.55 8.42 8.69 1o96Z1 LYS 64 HA 0.01 0.19 0.63 -0.75 4.32 4.39 1o96Z1 GLY 65 H 0.01 0.05 -0.11 -0.55 8.43 7.84 1o96Z1 GLY 65 HA2 -0.02 0.25 0.80 -0.51 4.01 4.54 1o96Z1 GLY 65 HA3 -0.02 -0.07 0.33 -0.51 4.01 3.74 1o96Z1 SER 66 H -0.01 0.10 0.16 -0.55 8.46 8.17 1o96Z1 SER 66 HA 0.00 0.25 0.83 -0.75 4.49 4.82 1o96Z1 SER 66 HB2 -0.01 0.00 0.08 -0.04 3.95 3.99 1o96Z1 SER 66 HB3 -0.01 0.08 0.10 -0.04 3.93 4.05 1o96Z1 SER 67 H 0.01 -0.00 -0.04 -0.55 8.46 7.89 1o96Z1 SER 67 HA 0.01 0.27 0.87 -0.75 4.49 4.89 1o96Z1 SER 67 HB2 0.00 0.00 0.05 -0.04 3.95 3.96 1o96Z1 SER 67 HB3 -0.03 -0.05 0.00 -0.04 3.93 3.81 1o96Z1 ILE 68 H 0.06 0.18 0.16 -0.55 8.25 8.09 1o96Z1 ILE 68 HA 0.12 -0.04 0.68 -0.75 4.18 4.18 1o96Z1 ILE 68 HB 0.11 -0.03 0.18 -0.04 1.89 2.11 1o96Z1 ILE 68 HG12 0.06 -0.00 -0.02 -0.04 1.49 1.49 1o96Z1 ILE 68 HG13 0.06 0.04 0.07 -0.04 1.21 1.34 1o96Z1 ILE 68 HG23 0.15 -0.01 -0.09 -0.04 0.93 0.94 1o96Z1 ILE 68 HD13 0.06 0.02 0.01 -0.04 0.88 0.93 1o96Z1 ASP 69 H 0.12 0.08 0.07 -0.55 8.40 8.12 1o96Z1 ASP 69 HA 0.24 0.26 0.82 -0.75 4.63 5.19 1o96Z1 ASP 69 HB2 0.18 0.05 0.09 -0.04 2.71 2.99 1o96Z1 ASP 69 HB3 0.19 -0.03 0.19 -0.04 2.70 3.01 1o96Z1 PHE 70 H 0.12 0.12 0.17 -0.55 8.34 8.20 1o96Z1 PHE 70 HA -0.09 0.03 0.24 -0.75 4.62 4.04 1o96Z1 PHE 70 HB2 -0.37 0.04 0.15 -0.04 3.15 2.93 1o96Z1 PHE 70 HB3 -0.16 -0.01 0.10 -0.04 3.06 2.95 1o96Z1 PHE 70 HD2 -1.11 0.02 -0.06 -0.04 7.28 6.09 1o96Z1 PHE 70 HE2 -0.32 0.02 -0.12 -0.04 7.38 6.92 1o96Z1 PHE 70 HZ 0.04 -0.01 -0.24 -0.04 7.32 7.07 1o96Z1 ASP 71 H -0.36 0.15 0.12 -0.55 8.40 7.77 1o96Z1 ASP 71 HA -0.83 0.20 0.42 -0.75 4.63 3.66 1o96Z1 ASP 71 HB2 -0.21 0.20 0.07 -0.04 2.71 2.73 1o96Z1 ASP 71 HB3 -0.15 -0.08 0.14 -0.04 2.70 2.56 1o96Z1 PRO 72 HA 0.20 0.05 0.29 -0.51 4.44 4.48 1o96Z1 PRO 72 HB2 0.08 0.09 -0.04 -0.04 2.28 2.37 1o96Z1 PRO 72 HB3 0.29 0.23 -0.07 -0.04 2.02 2.43 1o96Z1 PRO 72 HG2 -0.03 0.05 0.06 -0.04 2.03 2.07 1o96Z1 PRO 72 HG3 0.07 0.11 0.07 -0.04 2.03 2.24 1o96Z1 PRO 72 HD2 -0.26 0.05 0.17 -0.04 3.68 3.60 1o96Z1 PRO 72 HD3 -0.53 0.19 0.10 -0.04 3.65 3.37 1o96Z1 ASP 73 H -0.10 0.08 -0.13 -0.55 8.40 7.70 1o96Z1 ASP 73 HA 0.01 0.21 0.65 -0.75 4.63 4.74 1o96Z1 ASP 73 HB2 -0.05 -0.10 0.12 -0.04 2.71 2.64 1o96Z1 ASP 73 HB3 -0.02 0.11 -0.04 -0.04 2.70 2.71 1o96Z1 VAL 74 H -0.07 0.04 -0.21 -0.55 8.24 7.45 1o96Z1 VAL 74 HA -0.04 0.13 0.24 -0.75 4.13 3.70 1o96Z1 VAL 74 HB 0.01 0.04 0.09 -0.04 2.12 2.22 1o96Z1 VAL 74 HG13 -0.06 0.01 -0.02 -0.04 0.97 0.86 1o96Z1 VAL 74 HG23 -0.05 -0.01 0.06 -0.04 0.95 0.91 1o96Z1 PHE 75 H 0.11 0.52 -0.06 -0.55 8.34 8.35 1o96Z1 PHE 75 HA -0.22 0.06 0.47 -0.75 4.62 4.18 1o96Z1 PHE 75 HB2 -0.12 0.10 0.07 -0.04 3.15 3.16 1o96Z1 PHE 75 HB3 -1.55 0.03 -0.06 -0.04 3.06 1.45 1o96Z1 PHE 75 HD2 -0.19 -0.02 -0.01 -0.04 7.28 7.02 1o96Z1 PHE 75 HE2 0.05 0.10 -0.03 -0.04 7.38 7.45 1o96Z1 PHE 75 HZ -0.02 0.08 0.11 -0.04 7.32 7.44 1o96Z1 GLU 76 H -0.03 0.34 -0.17 -0.55 8.60 8.20 1o96Z1 GLU 76 HA 0.18 0.03 0.42 -0.75 4.29 4.17 1o96Z1 GLU 76 HB2 0.21 0.05 0.16 -0.04 2.09 2.46 1o96Z1 GLU 76 HB3 0.07 0.03 0.17 -0.04 1.99 2.22 1o96Z1 GLU 76 HG2 0.06 0.01 -0.25 -0.04 2.34 2.13 1o96Z1 GLU 76 HG3 0.13 -0.01 -0.06 -0.04 2.34 2.36 1o96Z1 ALA 77 H 0.00 0.49 -0.03 -0.55 8.40 8.32 1o96Z1 ALA 77 HA 0.01 0.04 0.44 -0.75 4.34 4.07 1o96Z1 ALA 77 HB3 -0.02 0.00 0.08 -0.04 1.41 1.43 1o96Z1 SER 78 H -0.08 0.56 -0.18 -0.55 8.46 8.21 1o96Z1 SER 78 HA -0.05 0.02 0.40 -0.75 4.49 4.10 1o96Z1 SER 78 HB2 -0.27 0.01 0.14 -0.04 3.95 3.79 1o96Z1 SER 78 HB3 -0.17 -0.05 -0.05 -0.04 3.93 3.62 1o96Z1 VAL 79 H -0.08 0.79 0.03 -0.55 8.24 8.42 1o96Z1 VAL 79 HA -0.01 0.03 0.56 -0.75 4.13 3.95 1o96Z1 VAL 79 HB 0.16 0.07 0.04 -0.04 2.12 2.35 1o96Z1 VAL 79 HG13 0.13 -0.01 -0.13 -0.04 0.97 0.91 1o96Z1 VAL 79 HG23 0.09 0.05 0.01 -0.04 0.95 1.05 1o96Z1 SER 80 H 0.05 0.82 -0.04 -0.55 8.46 8.74 1o96Z1 SER 80 HA 0.11 0.01 0.50 -0.75 4.49 4.35 1o96Z1 SER 80 HB2 0.07 -0.04 0.07 -0.04 3.95 4.00 1o96Z1 SER 80 HB3 0.04 0.15 0.19 -0.04 3.93 4.27 1o96Z1 ALA 81 H 0.02 0.50 -0.16 -0.55 8.40 8.21 1o96Z1 ALA 81 HA 0.03 0.03 0.37 -0.75 4.34 4.01 1o96Z1 ALA 81 HB3 0.01 0.01 0.06 -0.04 1.41 1.45 1o96Z1 LEU 82 H 0.02 0.18 -0.47 -0.55 8.37 7.56 1o96Z1 LEU 82 HA 0.10 0.00 0.32 -0.75 4.35 4.02 1o96Z1 LEU 82 HB2 0.01 0.01 0.27 -0.04 1.64 1.90 1o96Z1 LEU 82 HB3 -0.01 -0.03 -0.02 -0.04 1.64 1.55 1o96Z1 LEU 82 HG -0.02 0.22 0.00 -0.04 1.64 1.80 1o96Z1 LEU 82 HD13 -0.06 -0.04 -0.10 -0.04 0.93 0.69 1o96Z1 LEU 82 HD23 -0.00 -0.02 -0.09 -0.04 0.89 0.74 1o96Z1 ILE 83 H 0.05 0.67 -0.02 -0.55 8.25 8.39 1o96Z1 ILE 83 HA 0.02 -0.00 0.29 -0.75 4.18 3.74 1o96Z1 ILE 83 HB 0.09 0.11 0.11 -0.04 1.89 2.15 1o96Z1 ILE 83 HG12 -0.10 -0.03 -0.05 -0.04 1.49 1.27 1o96Z1 ILE 83 HG13 0.01 0.01 0.04 -0.04 1.21 1.23 1o96Z1 ILE 83 HG23 -0.05 -0.00 -0.21 -0.04 0.93 0.63 1o96Z1 ILE 83 HD13 0.01 -0.02 -0.12 -0.04 0.88 0.71 1o96Z1 ALA 84 H 0.06 0.40 -0.24 -0.55 8.40 8.08 1o96Z1 ALA 84 HA 0.05 0.02 0.46 -0.75 4.34 4.11 1o96Z1 ALA 84 HB3 0.04 -0.01 0.06 -0.04 1.41 1.46 1o96Z1 ALA 85 H 0.06 0.56 -0.15 -0.55 8.40 8.31 1o96Z1 ALA 85 HA -0.06 0.06 0.73 -0.75 4.34 4.32 1o96Z1 ALA 85 HB3 -0.03 -0.02 0.07 -0.04 1.41 1.38 1o96Z1 HIS 86 H 0.15 0.45 -0.09 -0.55 8.41 8.38 1o96Z1 HIS 86 HA -0.00 0.19 0.81 -0.75 4.63 4.87 1o96Z1 HIS 86 HB2 -0.01 0.03 -0.01 -0.04 3.26 3.23 1o96Z1 HIS 86 HB3 -0.01 -0.06 0.10 -0.04 3.20 3.19 1o96Z1 HIS 86 HD2 -0.01 0.17 -0.01 -0.04 6.97 7.08 1o96Z1 HIS 86 HE1 -0.00 -0.03 -0.13 -0.04 7.75 7.54 1o96Z1 ASN 87 H 0.02 0.16 -0.34 -0.55 8.53 7.83 1o96Z1 ASN 87 HA 0.01 0.17 0.30 -0.75 4.76 4.49 1o96Z1 PRO 88 HA 0.00 0.04 0.49 -0.51 4.44 4.46 1o96Z1 PRO 88 HB2 -0.04 -0.01 -0.09 -0.04 2.28 2.10 1o96Z1 PRO 88 HB3 -0.01 0.00 -0.06 -0.04 2.02 1.91 1o96Z1 PRO 88 HG2 -0.08 -0.03 -0.09 -0.04 2.03 1.78 1o96Z1 PRO 88 HG3 -0.03 -0.03 -0.06 -0.04 2.03 1.87 1o96Z1 PRO 88 HD2 -0.03 0.05 0.06 -0.04 3.68 3.72 1o96Z1 PRO 88 HD3 0.04 0.10 -0.22 -0.04 3.65 3.54 1o96Z1 SER 89 H -0.00 0.53 0.36 -0.55 8.46 8.80 1o96Z1 SER 89 HA -0.02 0.45 1.05 -0.75 4.49 5.22 1o96Z1 SER 89 HB2 0.03 0.04 0.22 -0.04 3.95 4.20 1o96Z1 SER 89 HB3 0.02 -0.02 0.23 -0.04 3.93 4.12 1o96Z1 VAL 90 H -0.03 0.22 0.09 -0.55 8.24 7.98 1o96Z1 VAL 90 HA -0.10 0.15 0.69 -0.75 4.13 4.12 1o96Z1 VAL 90 HB -0.03 -0.05 0.06 -0.04 2.12 2.06 1o96Z1 VAL 90 HG13 -0.12 -0.01 -0.16 -0.04 0.97 0.64 1o96Z1 VAL 90 HG23 0.02 0.02 -0.23 -0.04 0.95 0.72 1o96Z1 VAL 91 H -0.12 0.88 0.37 -0.55 8.24 8.82 1o96Z1 VAL 91 HA -0.06 0.35 0.98 -0.75 4.13 4.65 1o96Z1 VAL 91 HB -0.05 0.04 0.12 -0.04 2.12 2.19 1o96Z1 VAL 91 HG13 -0.14 0.00 -0.14 -0.04 0.97 0.65 1o96Z1 VAL 91 HG23 -0.00 -0.03 -0.18 -0.04 0.95 0.69 1o96Z1 LEU 92 H -0.04 0.64 0.33 -0.55 8.37 8.74 1o96Z1 LEU 92 HA -0.07 0.33 1.00 -0.75 4.35 4.86 1o96Z1 LEU 92 HB2 -0.07 -0.01 0.08 -0.04 1.64 1.60 1o96Z1 LEU 92 HB3 -0.10 -0.04 -0.01 -0.04 1.64 1.45 1o96Z1 LEU 92 HG -0.10 -0.03 -0.40 -0.04 1.64 1.07 1o96Z1 LEU 92 HD13 -0.14 0.01 -0.18 -0.04 0.93 0.58 1o96Z1 LEU 92 HD23 -0.17 0.03 -0.17 -0.04 0.89 0.55 1o96Z1 LEU 93 H -0.03 0.53 0.42 -0.55 8.37 8.74 1o96Z1 LEU 93 HA 0.03 0.20 0.91 -0.75 4.35 4.74 1o96Z1 LEU 93 HB2 -0.01 0.03 0.08 -0.04 1.64 1.70 1o96Z1 LEU 93 HB3 -0.03 0.10 -0.00 -0.04 1.64 1.66 1o96Z1 LEU 93 HG 0.05 -0.06 0.03 -0.04 1.64 1.61 1o96Z1 LEU 93 HD13 0.09 0.04 -0.20 -0.04 0.93 0.82 1o96Z1 LEU 93 HD23 -0.11 -0.01 -0.12 -0.04 0.89 0.60 1o96Z1 PRO 94 HA 0.00 0.17 0.53 -0.51 4.44 4.63 1o96Z1 PRO 94 HB2 -0.04 -0.06 -0.09 -0.04 2.28 2.05 1o96Z1 PRO 94 HB3 -0.02 0.04 0.03 -0.04 2.02 2.03 1o96Z1 PRO 94 HG2 -0.07 -0.17 0.09 -0.04 2.03 1.84 1o96Z1 PRO 94 HG3 -0.03 0.05 0.03 -0.04 2.03 2.04 1o96Z1 PRO 94 HD2 0.03 0.07 0.27 -0.04 3.68 4.01 1o96Z1 PRO 94 HD3 0.01 0.43 0.18 -0.04 3.65 4.23 1o96Z1 HIS 95 H 0.08 0.67 0.19 -0.55 8.41 8.81 1o96Z1 HIS 95 HA -0.06 0.08 0.86 -0.75 4.63 4.75 1o96Z1 HIS 95 HB2 -0.04 -0.11 -0.23 -0.04 3.26 2.84 1o96Z1 HIS 95 HB3 -0.01 0.09 -0.00 -0.04 3.20 3.23 1o96Z1 HIS 95 HD2 -0.02 0.00 -0.07 -0.04 6.97 6.84 1o96Z1 HIS 95 HE1 -0.04 0.04 -0.09 -0.04 7.75 7.62 1o96Z1 SER 96 H -0.29 0.24 0.03 -0.55 8.46 7.89 1o96Z1 SER 96 HA -0.12 0.23 0.56 -0.75 4.49 4.41 1o96Z1 SER 96 HB2 -0.13 -0.03 0.02 -0.04 3.95 3.77 1o96Z1 SER 96 HB3 -0.09 0.09 -0.26 -0.04 3.93 3.64 1o96Z1 VAL 97 H -0.12 0.22 0.10 -0.55 8.24 7.89 1o96Z1 VAL 97 HA -0.14 0.11 0.43 -0.75 4.13 3.77 1o96Z1 VAL 97 HB -0.08 -0.02 0.08 -0.04 2.12 2.05 1o96Z1 VAL 97 HG13 -0.05 0.03 -0.06 -0.04 0.97 0.85 1o96Z1 VAL 97 HG23 -0.06 0.02 0.04 -0.04 0.95 0.91 1o96Z1 ASP 98 H -0.22 0.07 -0.13 -0.55 8.40 7.57 1o96Z1 ASP 98 HA -0.68 0.09 0.37 -0.75 4.63 3.66 1o96Z1 ASP 98 HB2 -0.36 -0.03 0.10 -0.04 2.71 2.37 1o96Z1 ASP 98 HB3 -0.91 0.07 0.01 -0.04 2.70 1.83 1o96Z1 SER 99 H -0.29 0.05 -0.19 -0.55 8.46 7.47 1o96Z1 SER 99 HA -0.31 0.01 0.25 -0.75 4.49 3.69 1o96Z1 SER 99 HB2 -0.22 -0.18 0.18 -0.04 3.95 3.69 1o96Z1 SER 99 HB3 -0.22 -0.01 0.03 -0.04 3.93 3.69 1o96Z1 LEU 100 H -0.26 0.54 -0.04 -0.55 8.37 8.06 1o96Z1 LEU 100 HA -0.12 -0.06 0.53 -0.75 4.35 3.95 1o96Z1 LEU 100 HB2 -0.11 0.12 0.04 -0.04 1.64 1.64 1o96Z1 LEU 100 HB3 -0.08 -0.03 0.10 -0.04 1.64 1.59 1o96Z1 LEU 100 HG -0.24 0.14 -0.05 -0.04 1.64 1.45 1o96Z1 LEU 100 HD13 -0.09 -0.01 -0.05 -0.04 0.93 0.73 1o96Z1 LEU 100 HD23 -0.49 -0.04 -0.06 -0.04 0.89 0.26 1o96Z1 GLY 101 H -0.17 0.79 -0.17 -0.55 8.43 8.33 1o96Z1 GLY 101 HA2 0.10 0.03 0.45 -0.51 4.01 4.07 1o96Z1 GLY 101 HA3 0.24 0.00 0.34 -0.51 4.01 4.08 1o96Z1 TYR 102 H 0.02 0.37 -0.05 -0.55 8.29 8.07 1o96Z1 TYR 102 HA 0.07 0.21 0.86 -0.75 4.56 4.94 1o96Z1 TYR 102 HB2 0.14 0.04 0.17 -0.04 3.06 3.36 1o96Z1 TYR 102 HB3 0.28 -0.08 -0.12 -0.04 2.98 3.02 1o96Z1 TYR 102 HD2 0.01 -0.01 -0.14 -0.04 7.15 6.96 1o96Z1 TYR 102 HE2 -0.00 0.01 -0.14 -0.04 6.85 6.68 1o96Z1 ALA 103 H -0.29 0.50 0.15 -0.55 8.40 8.21 1o96Z1 ALA 103 HA -0.48 0.06 0.02 -0.75 4.34 3.19 1o96Z1 ALA 103 HB3 -0.08 -0.00 -0.03 -0.04 1.41 1.26 1o96Z1 SER 104 H -0.05 0.12 -0.02 -0.55 8.46 7.97 1o96Z1 SER 104 HA -0.84 0.11 0.42 -0.75 4.49 3.43 1o96Z1 SER 104 HB2 0.04 0.07 0.02 -0.04 3.95 4.03 1o96Z1 SER 104 HB3 0.19 -0.02 0.05 -0.04 3.93 4.11 1o96Z1 SER 105 H -0.06 0.02 -0.42 -0.55 8.46 7.45 1o96Z1 SER 105 HA -0.04 0.04 0.48 -0.75 4.49 4.21 1o96Z1 SER 105 HB2 0.03 -0.04 0.03 -0.04 3.95 3.93 1o96Z1 SER 105 HB3 0.07 0.22 0.11 -0.04 3.93 4.29 1o96Z1 LEU 106 H -0.02 0.49 -0.06 -0.55 8.37 8.23 1o96Z1 LEU 106 HA 0.02 -0.01 0.48 -0.75 4.35 4.09 1o96Z1 LEU 106 HB2 0.13 -0.05 0.06 -0.04 1.64 1.74 1o96Z1 LEU 106 HB3 -0.06 0.17 0.09 -0.04 1.64 1.80 1o96Z1 LEU 106 HG 0.17 0.04 -0.18 -0.04 1.64 1.63 1o96Z1 LEU 106 HD13 0.15 -0.02 -0.01 -0.04 0.93 1.01 1o96Z1 LEU 106 HD23 0.20 -0.02 -0.13 -0.04 0.89 0.91 1o96Z1 ALA 107 H -0.42 0.31 -0.09 -0.55 8.40 7.66 1o96Z1 ALA 107 HA -0.07 0.05 0.51 -0.75 4.34 4.08 1o96Z1 ALA 107 HB3 -0.54 0.01 -0.00 -0.04 1.41 0.83 1o96Z1 SER 108 H -0.20 0.43 -0.11 -0.55 8.46 8.03 1o96Z1 SER 108 HA -0.08 0.03 0.40 -0.75 4.49 4.09 1o96Z1 SER 108 HB2 -0.07 0.03 0.09 -0.04 3.95 3.96 1o96Z1 SER 108 HB3 -0.05 -0.06 0.02 -0.04 3.93 3.80 1o96Z1 LYS 109 H -0.10 0.28 -0.15 -0.55 8.42 7.90 1o96Z1 LYS 109 HA -0.08 -0.03 0.44 -0.75 4.32 3.90 1o96Z1 THR 110 H -0.24 0.37 -0.43 -0.55 8.28 7.44 1o96Z1 THR 110 HA -0.25 0.10 0.14 -0.75 4.39 3.63 1o96Z1 THR 110 HB -1.13 -0.11 0.02 -0.04 4.32 3.06 1o96Z1 THR 110 HG23 -0.54 0.00 -0.07 -0.04 1.22 0.57 1o96Z1 GLY 111 H -0.21 0.09 0.07 -0.55 8.43 7.83 1o96Z1 GLY 111 HA2 -0.03 0.25 0.90 -0.51 4.01 4.62 1o96Z1 GLY 111 HA3 -0.00 -0.03 0.46 -0.51 4.01 3.93 1o96Z1 TYR 112 H 0.01 0.35 -0.19 -0.55 8.29 7.92 1o96Z1 TYR 112 HA 0.00 0.14 0.77 -0.75 4.56 4.73 1o96Z1 TYR 112 HB2 -0.02 0.03 -0.04 -0.04 3.06 2.99 1o96Z1 TYR 112 HB3 -0.01 0.04 -0.05 -0.04 2.98 2.91 1o96Z1 TYR 112 HD2 -0.02 0.06 -0.26 -0.04 7.15 6.88 1o96Z1 TYR 112 HE2 -0.00 -0.00 -0.10 -0.04 6.85 6.71 1o96Z1 GLY 113 H 0.04 0.69 0.39 -0.55 8.43 9.01 1o96Z1 GLY 113 HA2 0.15 0.14 0.61 -0.51 4.01 4.40 1o96Z1 GLY 113 HA3 -0.20 -0.02 0.37 -0.51 4.01 3.66 1o96Z1 PHE 114 H 0.08 0.14 -0.02 -0.55 8.34 7.98 1o96Z1 PHE 114 HA -0.11 0.58 0.62 -0.75 4.62 4.95 1o96Z1 PHE 114 HB2 0.02 0.26 -0.20 -0.04 3.15 3.20 1o96Z1 PHE 114 HB3 0.04 -0.03 -0.12 -0.04 3.06 2.91 1o96Z1 PHE 114 HD2 -0.01 0.09 -0.06 -0.04 7.28 7.26 1o96Z1 PHE 114 HE2 -0.03 -0.06 -0.19 -0.04 7.38 7.06 1o96Z1 PHE 114 HZ -0.03 -0.16 -0.22 -0.04 7.32 6.87 1o96Z1 ALA 115 H -0.23 0.26 0.21 -0.55 8.40 8.10 1o96Z1 ALA 115 HA -0.26 0.17 0.44 -0.75 4.34 3.93 1o96Z1 ALA 115 HB3 0.03 0.02 0.03 -0.04 1.41 1.45 1o96Z1 THR 116 H -0.28 0.22 0.10 -0.55 8.28 7.77 1o96Z1 THR 116 HA -0.25 0.12 1.10 -0.75 4.39 4.60 1o96Z1 THR 116 HB -0.07 -0.07 -0.06 -0.04 4.32 4.08 1o96Z1 THR 116 HG23 -0.30 0.01 -0.15 -0.04 1.22 0.74 1o96Z1 ASP 117 H -0.23 0.11 0.07 -0.55 8.40 7.81 1o96Z1 ASP 117 HA -0.35 -0.01 0.20 -0.75 4.63 3.71 1o96Z1 ASP 117 HB2 -0.93 -0.07 -0.10 -0.04 2.71 1.57 1o96Z1 ASP 117 HB3 -0.26 0.11 0.27 -0.04 2.70 2.78 1o96Z1 VAL 118 H -0.06 0.40 0.19 -0.55 8.24 8.22 1o96Z1 VAL 118 HA -0.16 0.21 0.52 -0.75 4.13 3.94 1o96Z1 VAL 118 HB -0.08 0.02 -0.02 -0.04 2.12 2.00 1o96Z1 VAL 118 HG13 -0.05 -0.00 -0.21 -0.04 0.97 0.67 1o96Z1 VAL 118 HG23 -0.11 -0.03 -0.37 -0.04 0.95 0.40 1o96Z1 TYR 119 H -0.38 0.58 0.41 -0.55 8.29 8.35 1o96Z1 TYR 119 HA 0.25 0.15 0.95 -0.75 4.56 5.16 1o96Z1 TYR 119 HB2 -0.02 0.05 0.13 -0.04 3.06 3.18 1o96Z1 TYR 119 HB3 0.02 -0.09 -0.09 -0.04 2.98 2.78 1o96Z1 TYR 119 HD2 -0.03 0.01 -0.11 -0.04 7.15 6.98 1o96Z1 TYR 119 HE2 -0.03 -0.07 -0.08 -0.04 6.85 6.63 1o96Z1 ILE 120 H -0.02 0.33 0.18 -0.55 8.25 8.20 1o96Z1 ILE 120 HA 0.13 0.16 0.58 -0.75 4.18 4.30 1o96Z1 ILE 120 HB -0.06 -0.13 0.08 -0.04 1.89 1.74 1o96Z1 ILE 120 HG12 0.10 0.15 0.01 -0.04 1.49 1.72 1o96Z1 ILE 120 HG13 0.17 -0.11 -0.50 -0.04 1.21 0.72 1o96Z1 ILE 120 HG23 0.02 0.02 -0.07 -0.04 0.93 0.86 1o96Z1 ILE 120 HD13 0.08 -0.01 -0.07 -0.04 0.88 0.83 1o96Z1 VAL 121 H 0.18 0.30 0.09 -0.55 8.24 8.26 1o96Z1 VAL 121 HA -0.01 0.25 0.50 -0.75 4.13 4.12 1o96Z1 VAL 121 HB -0.03 -0.02 -0.09 -0.04 2.12 1.94 1o96Z1 VAL 121 HG13 -0.05 0.00 -0.16 -0.04 0.97 0.72 1o96Z1 VAL 121 HG23 -0.12 0.01 -0.16 -0.04 0.95 0.64 1o96Z1 GLU 122 H -0.08 0.44 0.25 -0.55 8.60 8.67 1o96Z1 GLU 122 HA -0.01 0.24 0.81 -0.75 4.29 4.58 1o96Z1 GLU 122 HB2 0.03 0.08 0.07 -0.04 2.09 2.23 1o96Z1 GLU 122 HB3 0.02 0.00 -0.26 -0.04 1.99 1.72 1o96Z1 GLU 122 HG2 -0.01 -0.02 -0.13 -0.04 2.34 2.14 1o96Z1 GLU 122 HG3 -0.02 -0.07 -0.26 -0.04 2.34 1.96 1o96Z1 TYR 123 H 0.12 0.25 0.15 -0.55 8.29 8.26 1o96Z1 TYR 123 HA 0.02 0.18 0.62 -0.75 4.56 4.63 1o96Z1 TYR 123 HB2 0.02 0.08 0.03 -0.04 3.06 3.15 1o96Z1 TYR 123 HB3 0.01 0.05 -0.17 -0.04 2.98 2.84 1o96Z1 TYR 123 HD2 0.02 0.03 -0.46 -0.04 7.15 6.70 1o96Z1 TYR 123 HE2 0.01 -0.00 -0.15 -0.04 6.85 6.67 1o96Z1 GLN 124 H 0.18 0.47 -0.16 -0.55 8.47 8.41 1o96Z1 GLN 124 HA 0.06 0.12 0.63 -0.75 4.36 4.43 1o96Z1 GLN 124 HB2 0.04 0.00 0.17 -0.04 2.15 2.33 1o96Z1 GLN 124 HB3 0.03 -0.02 0.08 -0.04 2.02 2.07 1o96Z1 GLN 124 HG2 0.04 0.14 -0.16 -0.04 2.40 2.38 1o96Z1 GLN 124 HG3 0.03 0.03 -0.26 -0.04 2.39 2.15 1o96Z1 GLN 124 HE21 0.00 -0.02 -0.05 -0.04 6.97 6.86 1o96Z1 GLN 124 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.63 1o96Z1 GLY 125 H 0.06 0.25 -0.09 -0.55 8.43 8.10 1o96Z1 GLY 125 HA2 0.01 0.07 0.32 -0.51 4.01 3.91 1o96Z1 GLY 125 HA3 0.03 0.04 0.63 -0.51 4.01 4.19 1o96Z1 ASP 126 H 0.03 0.16 0.21 -0.55 8.40 8.26 1o96Z1 ASP 126 HA -0.12 0.26 0.80 -0.75 4.63 4.82 1o96Z1 ASP 126 HB2 -0.00 -0.03 0.10 -0.04 2.71 2.74 1o96Z1 ASP 126 HB3 -0.03 0.04 0.18 -0.04 2.70 2.85 1o96Z1 GLU 127 H 0.12 0.32 -0.13 -0.55 8.60 8.36 1o96Z1 GLU 127 HA 0.15 0.13 0.68 -0.75 4.29 4.50 1o96Z1 GLU 127 HB2 0.06 -0.01 0.15 -0.04 2.09 2.25 1o96Z1 GLU 127 HB3 0.06 -0.01 0.16 -0.04 1.99 2.16 1o96Z1 GLU 127 HG2 0.02 -0.02 -0.02 -0.04 2.34 2.28 1o96Z1 GLU 127 HG3 0.03 0.02 -0.11 -0.04 2.34 2.24 1o96Z1 LEU 128 H 0.24 0.23 0.16 -0.55 8.37 8.45 1o96Z1 LEU 128 HA -0.35 0.22 0.61 -0.75 4.35 4.08 1o96Z1 LEU 128 HB2 -0.28 0.07 0.07 -0.04 1.64 1.46 1o96Z1 LEU 128 HB3 0.11 -0.06 0.13 -0.04 1.64 1.78 1o96Z1 LEU 128 HG -0.06 -0.00 -0.37 -0.04 1.64 1.17 1o96Z1 LEU 128 HD13 -0.51 0.04 -0.12 -0.04 0.93 0.30 1o96Z1 LEU 128 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.66 1o96Z1 VAL 129 H -0.12 0.55 0.28 -0.55 8.24 8.39 1o96Z1 VAL 129 HA -0.07 0.25 0.91 -0.75 4.13 4.47 1o96Z1 VAL 129 HB -0.03 -0.00 -0.02 -0.04 2.12 2.02 1o96Z1 VAL 129 HG13 -0.05 -0.02 -0.27 -0.04 0.97 0.59 1o96Z1 VAL 129 HG23 -0.03 0.03 -0.28 -0.04 0.95 0.62 1o96Z1 ALA 130 H -0.07 0.64 0.32 -0.55 8.40 8.75 1o96Z1 ALA 130 HA -0.03 0.25 0.91 -0.75 4.34 4.71 1o96Z1 ALA 130 HB3 0.12 -0.00 -0.03 -0.04 1.41 1.46 1o96Z1 THR 131 H -0.12 0.55 0.31 -0.55 8.28 8.47 1o96Z1 THR 131 HA -0.17 0.38 1.04 -0.75 4.39 4.88 1o96Z1 THR 131 HB -0.26 -0.08 0.10 -0.04 4.32 4.05 1o96Z1 THR 131 HG23 -0.16 0.02 -0.17 -0.04 1.22 0.87 1o96Z1 ARG 132 H -0.23 0.54 0.30 -0.55 8.46 8.52 1o96Z1 ARG 132 HA -0.64 0.13 0.87 -0.75 4.34 3.95 1o96Z1 ARG 132 HB2 -0.13 -0.03 0.30 -0.04 1.90 2.00 1o96Z1 ARG 132 HB3 -0.18 -0.04 -0.07 -0.04 1.80 1.47 1o96Z1 ARG 132 HG2 -0.13 0.09 0.11 -0.04 1.67 1.69 1o96Z1 ARG 132 HG3 -0.09 0.29 -0.04 -0.04 1.67 1.79 1o96Z1 ARG 132 HD2 -0.10 -0.06 0.01 -0.04 3.22 3.02 1o96Z1 ARG 132 HD3 -0.09 -0.03 0.03 -0.04 3.22 3.08 1o96Z1 GLY 133 H 0.05 0.15 0.24 -0.55 8.43 8.32 1o96Z1 GLY 133 HA2 0.16 0.32 0.85 -0.51 4.01 4.83 1o96Z1 GLY 133 HA3 0.17 -0.05 0.40 -0.51 4.01 4.02 1o96Z1 GLY 134 H 0.07 0.52 0.21 -0.55 8.43 8.69 1o96Z1 GLY 134 HA2 -0.07 0.08 0.45 -0.51 4.01 3.97 1o96Z1 GLY 134 HA3 0.02 0.14 0.23 -0.51 4.01 3.89 1o96Z1 TYR 135 H -0.34 0.21 0.11 -0.55 8.29 7.72 1o96Z1 TYR 135 HA 0.00 0.05 0.36 -0.75 4.56 4.22 1o96Z1 TYR 135 HB2 0.01 0.07 -0.19 -0.04 3.06 2.90 1o96Z1 TYR 135 HB3 0.01 0.05 0.15 -0.04 2.98 3.14 1o96Z1 TYR 135 HD2 0.00 -0.01 -0.07 -0.04 7.15 7.04 1o96Z1 TYR 135 HE2 -0.00 0.04 -0.01 -0.04 6.85 6.84 1o96Z1 ASN 136 H 0.00 0.09 -0.06 -0.55 8.53 8.01 1o96Z1 ASN 136 HA 0.01 -0.01 0.27 -0.75 4.76 4.28 1o96Z1 ASN 136 HB2 0.03 -0.02 0.01 -0.04 2.88 2.87 1o96Z1 ASN 136 HB3 0.05 0.16 -0.07 -0.04 2.79 2.90 1o96Z1 ASN 136 HD21 0.00 -0.10 0.02 -0.04 7.03 6.92 1o96Z1 ASN 136 HD22 0.02 0.07 0.03 -0.04 7.74 7.82 1o96Z1 GLN 137 H 0.04 0.02 -0.41 -0.55 8.47 7.59 1o96Z1 GLN 137 HA 0.06 0.01 0.33 -0.75 4.36 4.00 1o96Z1 GLN 137 HB2 -0.00 0.12 -0.05 -0.04 2.15 2.18 1o96Z1 GLN 137 HB3 -0.01 0.10 0.16 -0.04 2.02 2.23 1o96Z1 GLN 137 HG2 0.00 -0.16 -0.19 -0.04 2.40 2.00 1o96Z1 GLN 137 HG3 -0.03 -0.01 -0.02 -0.04 2.39 2.29 1o96Z1 GLN 137 HE21 0.26 -0.00 0.06 -0.04 6.97 7.25 1o96Z1 GLN 137 HE22 -0.04 0.10 0.04 -0.04 7.69 7.76 1o96Z1 LYS 138 H 0.08 0.35 -0.48 -0.55 8.42 7.82 1o96Z1 LYS 138 HA 0.04 0.11 0.59 -0.75 4.32 4.31 1o96Z1 LYS 138 HB2 0.09 0.06 0.14 -0.04 1.87 2.11 1o96Z1 LYS 138 HB3 0.03 -0.05 0.10 -0.04 1.79 1.83 1o96Z1 LYS 138 HG2 0.04 0.05 0.07 -0.04 1.46 1.57 1o96Z1 LYS 138 HG3 0.05 0.06 0.03 -0.04 1.46 1.56 1o96Z1 LYS 138 HD2 0.05 0.02 0.05 -0.04 1.69 1.77 1o96Z1 LYS 138 HD3 0.02 -0.04 0.03 -0.04 1.68 1.66 1o96Z1 LYS 138 HE2 0.04 -0.02 0.00 -0.04 2.99 2.96 1o96Z1 LYS 138 HE3 0.03 -0.08 -0.01 -0.04 2.99 2.89 1o96Z1 VAL 139 H 0.09 0.22 -0.19 -0.55 8.24 7.81 1o96Z1 VAL 139 HA 0.06 0.19 0.71 -0.75 4.13 4.33 1o96Z1 VAL 139 HB 0.06 0.12 0.07 -0.04 2.12 2.34 1o96Z1 VAL 139 HG13 0.03 -0.01 -0.28 -0.04 0.97 0.67 1o96Z1 VAL 139 HG23 0.20 -0.02 -0.26 -0.04 0.95 0.83 1o96Z1 ASN 140 H 0.05 0.16 0.13 -0.55 8.53 8.32 1o96Z1 ASN 140 HA 0.09 0.24 0.86 -0.75 4.76 5.19 1o96Z1 ASN 140 HB2 0.04 -0.03 0.07 -0.04 2.88 2.92 1o96Z1 ASN 140 HB3 0.01 0.00 -0.02 -0.04 2.79 2.74 1o96Z1 ASN 140 HD21 0.22 0.04 -0.07 -0.04 7.03 7.18 1o96Z1 ASN 140 HD22 0.08 -0.02 -0.06 -0.04 7.74 7.69 1o96Z1 VAL 141 H -0.06 0.73 0.10 -0.55 8.24 8.46 1o96Z1 VAL 141 HA -0.02 0.12 0.75 -0.75 4.13 4.22 1o96Z1 VAL 141 HB -0.05 0.05 -0.13 -0.04 2.12 1.94 1o96Z1 VAL 141 HG13 -0.05 0.00 -0.15 -0.04 0.97 0.73 1o96Z1 VAL 141 HG23 0.01 -0.03 -0.32 -0.04 0.95 0.57 1o96Z1 GLU 142 H -0.05 0.16 0.02 -0.55 8.60 8.19 1o96Z1 GLU 142 HA -0.10 0.17 0.66 -0.75 4.29 4.27 1o96Z1 GLU 142 HB2 -0.05 -0.02 -0.04 -0.04 2.09 1.93 1o96Z1 GLU 142 HB3 -0.05 -0.01 0.09 -0.04 1.99 1.98 1o96Z1 GLU 142 HG2 -0.07 0.01 -0.24 -0.04 2.34 2.00 1o96Z1 GLU 142 HG3 -0.06 0.01 -0.18 -0.04 2.34 2.06 1o96Z1 VAL 143 H -0.14 0.61 0.34 -0.55 8.24 8.50 1o96Z1 VAL 143 HA -0.19 0.16 1.00 -0.75 4.13 4.34 1o96Z1 VAL 143 HB -0.32 0.05 0.05 -0.04 2.12 1.87 1o96Z1 VAL 143 HG13 -0.10 0.00 -0.20 -0.04 0.97 0.62 1o96Z1 VAL 143 HG23 -0.13 0.05 -0.00 -0.04 0.95 0.83 1o96Z1 ASP 144 H -0.34 0.19 0.19 -0.55 8.40 7.89 1o96Z1 ASP 144 HA -0.74 0.30 0.87 -0.75 4.63 4.31 1o96Z1 ASP 144 HB2 -0.13 -0.05 0.06 -0.04 2.71 2.55 1o96Z1 ASP 144 HB3 -0.16 0.06 -0.03 -0.04 2.70 2.53 1o96Z1 PHE 145 H -0.04 0.24 0.06 -0.55 8.34 8.04 1o96Z1 PHE 145 HA 0.01 0.25 0.85 -0.75 4.62 4.98 1o96Z1 PHE 145 HB2 0.02 0.04 0.13 -0.04 3.15 3.30 1o96Z1 PHE 145 HB3 0.03 0.03 0.01 -0.04 3.06 3.08 1o96Z1 PHE 145 HD2 -0.01 0.10 -0.06 -0.04 7.28 7.27 1o96Z1 PHE 145 HE2 -0.06 0.04 -0.26 -0.04 7.38 7.05 1o96Z1 PHE 145 HZ -0.09 -0.03 -0.16 -0.04 7.32 7.00 1o96Z1 PRO 146 HA 0.05 -0.02 0.36 -0.51 4.44 4.32 1o96Z1 PRO 146 HB2 0.03 0.05 0.09 -0.04 2.28 2.41 1o96Z1 PRO 146 HB3 0.02 -0.00 0.07 -0.04 2.02 2.07 1o96Z1 PRO 146 HG2 0.02 0.05 0.09 -0.04 2.03 2.15 1o96Z1 PRO 146 HG3 -0.01 0.01 0.05 -0.04 2.03 2.04 1o96Z1 PRO 146 HD2 0.00 0.19 0.24 -0.04 3.68 4.07 1o96Z1 PRO 146 HD3 -0.06 0.07 -0.23 -0.04 3.65 3.39 1o96Z1 GLY 147 H 0.07 0.15 0.31 -0.55 8.43 8.41 1o96Z1 GLY 147 HA2 0.05 0.00 0.29 -0.51 4.01 3.85 1o96Z1 GLY 147 HA3 0.05 0.02 0.15 -0.51 4.01 3.72 1o96Z1 LYS 148 H 0.10 0.28 0.06 -0.55 8.42 8.31 1o96Z1 LYS 148 HA 0.09 0.18 0.84 -0.75 4.32 4.67 1o96Z1 LYS 148 HB2 0.12 -0.02 -0.02 -0.04 1.87 1.91 1o96Z1 LYS 148 HB3 0.09 0.10 0.03 -0.04 1.79 1.97 1o96Z1 LYS 148 HG2 0.14 0.08 -0.71 -0.04 1.46 0.93 1o96Z1 LYS 148 HG3 0.21 -0.16 -0.24 -0.04 1.46 1.24 1o96Z1 LYS 148 HD2 0.14 0.01 -0.73 -0.04 1.69 1.07 1o96Z1 LYS 148 HD3 0.12 0.17 -0.23 -0.04 1.68 1.70 1o96Z1 LYS 148 HE2 0.08 0.06 -0.19 -0.04 2.99 2.90 1o96Z1 LYS 148 HE3 0.11 -0.00 -0.22 -0.04 2.99 2.83 1o96Z1 SER 149 H 0.07 0.17 0.21 -0.55 8.46 8.36 1o96Z1 SER 149 HA 0.03 0.08 0.55 -0.75 4.49 4.41 1o96Z1 SER 149 HB2 0.05 -0.04 0.13 -0.04 3.95 4.05 1o96Z1 SER 149 HB3 0.02 0.06 -0.01 -0.04 3.93 3.96 1o96Z1 THR 150 H 0.01 -0.00 0.13 -0.55 8.28 7.87 1o96Z1 THR 150 HA -0.12 0.31 0.73 -0.75 4.39 4.55 1o96Z1 THR 150 HB -0.46 -0.09 0.04 -0.04 4.32 3.77 1o96Z1 THR 150 HG23 -0.54 -0.01 -0.30 -0.04 1.22 0.32 1o96Z1 VAL 151 H -0.15 0.45 -0.07 -0.55 8.24 7.93 1o96Z1 VAL 151 HA -0.22 -0.01 0.76 -0.75 4.13 3.90 1o96Z1 VAL 151 HB -0.27 0.06 0.07 -0.04 2.12 1.95 1o96Z1 VAL 151 HG13 -0.99 -0.04 -0.28 -0.04 0.97 -0.37 1o96Z1 VAL 151 HG23 -0.20 0.03 -0.14 -0.04 0.95 0.61 1o96Z1 VAL 152 H -0.09 0.50 -0.17 -0.55 8.24 7.94 1o96Z1 VAL 152 HA -0.06 0.16 0.75 -0.75 4.13 4.23 1o96Z1 VAL 152 HB 0.21 0.16 0.13 -0.04 2.12 2.58 1o96Z1 VAL 152 HG13 0.17 -0.03 -0.20 -0.04 0.97 0.87 1o96Z1 VAL 152 HG23 -0.05 -0.01 -0.17 -0.04 0.95 0.68 1o96Z1 LEU 153 H -0.10 0.75 0.19 -0.55 8.37 8.66 1o96Z1 LEU 153 HA -0.17 0.28 0.94 -0.75 4.35 4.65 1o96Z1 LEU 153 HB2 -0.13 0.00 -0.02 -0.04 1.64 1.44 1o96Z1 LEU 153 HB3 -0.13 0.00 -0.07 -0.04 1.64 1.40 1o96Z1 LEU 153 HG -0.21 0.00 -0.23 -0.04 1.64 1.16 1o96Z1 LEU 153 HD13 -0.13 0.01 -0.16 -0.04 0.93 0.61 1o96Z1 LEU 153 HD23 -0.19 -0.02 -0.14 -0.04 0.89 0.50 1o96Z1 THR 154 H -0.14 0.39 0.26 -0.55 8.28 8.23 1o96Z1 THR 154 HA -0.02 0.31 0.82 -0.75 4.39 4.75 1o96Z1 THR 154 HB 0.08 0.08 -0.17 -0.04 4.32 4.25 1o96Z1 THR 154 HG23 0.05 0.01 -0.11 -0.04 1.22 1.13 1o96Z1 ILE 155 H -0.01 0.65 0.20 -0.55 8.25 8.53 1o96Z1 ILE 155 HA -0.02 0.23 0.62 -0.75 4.18 4.25 1o96Z1 ILE 155 HB -0.05 -0.06 0.07 -0.04 1.89 1.81 1o96Z1 ILE 155 HG12 -0.15 0.01 -0.09 -0.04 1.49 1.21 1o96Z1 ILE 155 HG13 -0.37 0.02 -0.09 -0.04 1.21 0.73 1o96Z1 ILE 155 HG23 -0.08 0.05 -0.12 -0.04 0.93 0.75 1o96Z1 ILE 155 HD13 -0.21 0.02 -0.27 -0.04 0.88 0.38 1o96Z1 ARG 156 H 0.13 0.47 0.06 -0.55 8.46 8.56 1o96Z1 ARG 156 HA 0.10 0.06 0.69 -0.75 4.34 4.43 1o96Z1 ARG 156 HB2 0.09 -0.09 -0.14 -0.04 1.90 1.72 1o96Z1 ARG 156 HB3 0.17 0.06 -0.10 -0.04 1.80 1.89 1o96Z1 ARG 156 HG2 0.04 0.25 -0.15 -0.04 1.67 1.77 1o96Z1 ARG 156 HG3 0.04 -0.08 0.03 -0.04 1.67 1.61 1o96Z1 ARG 156 HD2 -0.02 0.04 -0.10 -0.04 3.22 3.10 1o96Z1 ARG 156 HD3 -0.06 0.04 -0.07 -0.04 3.22 3.09 1o96Z1 PRO 157 HA 0.07 0.03 0.59 -0.51 4.44 4.62 1o96Z1 PRO 157 HB2 0.02 0.09 -0.05 -0.04 2.28 2.29 1o96Z1 PRO 157 HB3 0.02 -0.05 0.11 -0.04 2.02 2.06 1o96Z1 PRO 157 HG2 0.03 0.02 0.10 -0.04 2.03 2.14 1o96Z1 PRO 157 HG3 0.03 0.00 0.10 -0.04 2.03 2.12 1o96Z1 PRO 157 HD2 0.06 0.09 0.22 -0.04 3.68 4.00 1o96Z1 PRO 157 HD3 0.10 0.17 0.35 -0.04 3.65 4.22 1o96Z1 SER 158 H 0.05 0.11 0.16 -0.55 8.46 8.23 1o96Z1 SER 158 HA 0.00 0.06 0.24 -0.75 4.49 4.04 1o96Z1 SER 158 HB2 -0.02 0.15 0.15 -0.04 3.95 4.20 1o96Z1 SER 158 HB3 -0.02 0.05 0.13 -0.04 3.93 4.05 1o96Z1 VAL 159 H 0.06 -0.06 -0.12 -0.55 8.24 7.56 1o96Z1 VAL 159 HA -0.14 0.22 0.77 -0.75 4.13 4.24 1o96Z1 VAL 159 HB 0.04 0.02 -0.00 -0.04 2.12 2.14 1o96Z1 VAL 159 HG13 -0.46 0.01 -0.06 -0.04 0.97 0.42 1o96Z1 VAL 159 HG23 -0.02 0.00 -0.26 -0.04 0.95 0.64 1o96Z1 PHE 160 H 0.19 -0.06 0.06 -0.55 8.34 7.98 1o96Z1 PHE 160 HA 0.01 0.14 0.63 -0.75 4.62 4.65 1o96Z1 PHE 160 HB2 0.00 -0.12 -0.04 -0.04 3.15 2.95 1o96Z1 PHE 160 HB3 0.00 0.12 -0.00 -0.04 3.06 3.14 1o96Z1 PHE 160 HD2 0.01 0.03 -0.02 -0.04 7.28 7.26 1o96Z1 PHE 160 HE2 0.02 0.07 -0.03 -0.04 7.38 7.39 1o96Z1 PHE 160 HZ 0.00 -0.11 -0.40 -0.04 7.32 6.77 1o96Z1 LYS 161 H 0.03 0.15 0.12 -0.55 8.42 8.17 1o96Z1 LYS 161 HA 0.02 0.07 0.52 -0.75 4.32 4.17 1o96Z1 PRO 162 HA 0.04 0.11 0.48 -0.51 4.44 4.56 1o96Z1 PRO 162 HB2 0.02 0.18 -0.11 -0.04 2.28 2.33 1o96Z1 PRO 162 HB3 0.03 -0.13 -0.14 -0.04 2.02 1.74 1o96Z1 PRO 162 HG2 0.02 0.04 0.00 -0.04 2.03 2.04 1o96Z1 PRO 162 HG3 0.02 -0.03 0.02 -0.04 2.03 2.00 1o96Z1 PRO 162 HD2 0.02 0.07 0.22 -0.04 3.68 3.94 1o96Z1 PRO 162 HD3 0.03 0.23 0.18 -0.04 3.65 4.06 1o96Z1 LEU 163 H 0.03 0.14 0.04 -0.55 8.37 8.03 1o96Z1 LEU 163 HA 0.02 0.15 0.77 -0.75 4.35 4.53 1o96Z1 LEU 163 HB2 0.02 0.08 -0.05 -0.04 1.64 1.64 1o96Z1 LEU 163 HB3 0.02 0.04 -0.08 -0.04 1.64 1.58 1o96Z1 LEU 163 HG 0.02 -0.01 -0.13 -0.04 1.64 1.48 1o96Z1 LEU 163 HD13 0.03 0.00 -0.15 -0.04 0.93 0.77 1o96Z1 LEU 163 HD23 0.02 0.03 -0.18 -0.04 0.89 0.72 1o96Z1 GLU 164 H 0.01 0.16 0.11 -0.55 8.60 8.33 1o96Z1 GLU 164 HA 0.01 0.10 0.76 -0.75 4.29 4.40 1o96Z1 GLY 165 H 0.01 0.12 0.09 -0.55 8.43 8.10 1o96Z1 GLY 165 HA2 0.01 -0.06 0.35 -0.51 4.01 3.79 1o96Z1 GLY 165 HA3 0.01 0.27 0.90 -0.51 4.01 4.68 1o96Z1 ALA 166 H 0.01 0.05 0.15 -0.55 8.40 8.07 1o96Z1 GLY 167 H 0.01 0.57 0.22 -0.55 8.43 8.68 1o96Z1 GLY 167 HA2 0.01 0.02 0.22 -0.51 4.01 3.75 1o96Z1 GLY 167 HA3 0.01 0.13 -0.09 -0.51 4.01 3.55 1o96Z1 SER 168 H 0.01 0.14 -0.03 -0.55 8.46 8.03 1o96Z1 SER 168 HA 0.01 0.23 0.84 -0.75 4.49 4.82 1o96Z1 SER 168 HB2 0.01 0.00 0.11 -0.04 3.95 4.03 1o96Z1 SER 168 HB3 0.01 0.02 -0.06 -0.04 3.93 3.85 1o96Z1 PRO 169 HA 0.01 0.18 0.15 -0.51 4.44 4.27 1o96Z1 PRO 169 HB2 0.01 0.00 -0.41 -0.04 2.28 1.84 1o96Z1 PRO 169 HB3 0.01 -0.02 -0.54 -0.04 2.02 1.42 1o96Z1 PRO 169 HG2 0.01 -0.02 -0.14 -0.04 2.03 1.84 1o96Z1 PRO 169 HG3 0.01 0.07 -0.10 -0.04 2.03 1.97 1o96Z1 PRO 169 HD2 0.01 0.18 -0.15 -0.04 3.68 3.68 1o96Z1 PRO 169 HD3 0.01 0.12 -0.28 -0.04 3.65 3.46 1o96Z1 VAL 170 H 0.01 0.45 0.31 -0.55 8.24 8.46 1o96Z1 VAL 170 HA 0.01 0.08 0.77 -0.75 4.13 4.23 1o96Z1 VAL 170 HB 0.02 -0.02 0.17 -0.04 2.12 2.25 1o96Z1 VAL 170 HG13 0.01 -0.01 -0.01 -0.04 0.97 0.93 1o96Z1 VAL 170 HG23 0.01 0.02 0.10 -0.04 0.95 1.05 1o96Z1 VAL 171 H 0.01 0.17 0.18 -0.55 8.24 8.05 1o96Z1 VAL 171 HA 0.01 0.19 0.93 -0.75 4.13 4.52 1o96Z1 VAL 171 HB 0.01 -0.03 0.08 -0.04 2.12 2.13 1o96Z1 VAL 171 HG13 0.01 -0.01 -0.16 -0.04 0.97 0.77 1o96Z1 VAL 171 HG23 0.01 0.05 -0.18 -0.04 0.95 0.80 1o96Z1 SER 172 H 0.02 0.82 0.45 -0.55 8.46 9.20 1o96Z1 SER 172 HA 0.02 0.15 0.97 -0.75 4.49 4.87 1o96Z1 SER 172 HB2 0.03 0.02 -0.02 -0.04 3.95 3.94 1o96Z1 SER 172 HB3 0.03 0.04 -0.15 -0.04 3.93 3.81 1o96Z1 ASN 173 H 0.01 0.23 0.19 -0.55 8.53 8.41 1o96Z1 ASN 173 HA 0.01 0.29 0.94 -0.75 4.76 5.24 1o96Z1 ASN 173 HB2 0.00 -0.02 0.13 -0.04 2.88 2.96 1o96Z1 ASN 173 HB3 0.00 0.01 0.06 -0.04 2.79 2.83 1o96Z1 ASN 173 HD21 0.00 -0.06 -0.03 -0.04 7.03 6.90 1o96Z1 ASN 173 HD22 0.00 0.01 0.02 -0.04 7.74 7.73 1o96Z1 VAL 174 H 0.01 0.52 0.24 -0.55 8.24 8.45 1o96Z1 VAL 174 HA 0.00 0.12 0.70 -0.75 4.13 4.21 1o96Z1 VAL 174 HB 0.01 0.06 0.02 -0.04 2.12 2.17 1o96Z1 VAL 174 HG13 0.03 0.00 -0.23 -0.04 0.97 0.73 1o96Z1 VAL 174 HG23 0.00 -0.00 -0.28 -0.04 0.95 0.63 1o96Z1 ASP 175 H -0.00 0.14 0.11 -0.55 8.40 8.10 1o96Z1 ASP 175 HA -0.01 0.05 0.83 -0.75 4.63 4.75 1o96Z1 ASP 175 HB2 -0.01 -0.05 0.06 -0.04 2.71 2.68 1o96Z1 ASP 175 HB3 -0.01 0.19 0.05 -0.04 2.70 2.89 1o96Z1 ALA 176 H -0.02 0.41 -0.02 -0.55 8.40 8.22 1o96Z1 ALA 176 HA -0.03 0.09 0.58 -0.75 4.34 4.22 1o96Z1 ALA 176 HB3 -0.04 -0.04 0.00 -0.04 1.41 1.29 1o96Z1 PRO 177 HA -0.01 0.08 0.39 -0.51 4.44 4.39 1o96Z1 PRO 177 HB2 -0.01 -0.04 -0.12 -0.04 2.28 2.07 1o96Z1 PRO 177 HB3 -0.01 0.07 0.04 -0.04 2.02 2.08 1o96Z1 PRO 177 HG2 -0.02 -0.11 -0.17 -0.04 2.03 1.69 1o96Z1 PRO 177 HG3 -0.01 0.14 -0.04 -0.04 2.03 2.08 1o96Z1 PRO 177 HD2 -0.04 -0.02 0.10 -0.04 3.68 3.68 1o96Z1 PRO 177 HD3 -0.02 0.24 0.10 -0.04 3.65 3.93 1o96Z1 SER 178 H -0.01 0.14 0.04 -0.55 8.46 8.08 1o96Z1 SER 178 HA -0.01 0.16 0.29 -0.75 4.49 4.18 1o96Z1 SER 178 HB2 -0.01 -0.02 0.25 -0.04 3.95 4.12 1o96Z1 SER 178 HB3 -0.01 0.01 0.08 -0.04 3.93 3.97 1o96Z1 VAL 179 H -0.02 0.39 -0.03 -0.55 8.24 8.03 1o96Z1 VAL 179 HA -0.01 0.14 0.62 -0.75 4.13 4.13 1o96Z1 VAL 179 HB -0.01 0.07 -0.17 -0.04 2.12 1.96 1o96Z1 VAL 179 HG13 -0.01 -0.00 -0.18 -0.04 0.97 0.74 1o96Z1 VAL 179 HG23 -0.02 0.01 -0.13 -0.04 0.95 0.77 1o96Z1 GLN 180 H -0.01 0.17 0.12 -0.55 8.47 8.21 1o96Z1 GLN 180 HA -0.02 0.05 0.71 -0.75 4.36 4.35 1o96Z1 SER 181 H -0.02 0.11 0.18 -0.55 8.46 8.18 1o96Z1 SER 181 HA -0.03 0.10 0.65 -0.75 4.49 4.46 1o96Z1 SER 181 HB2 -0.04 -0.03 0.11 -0.04 3.95 3.95 1o96Z1 SER 181 HB3 -0.04 0.14 0.16 -0.04 3.93 4.15 1o96Z1 ARG 182 H -0.03 0.00 0.19 -0.55 8.46 8.07 1o96Z1 ARG 182 HA -0.02 0.21 0.65 -0.75 4.34 4.43 1o96Z1 ARG 182 HB2 -0.02 -0.06 0.08 -0.04 1.90 1.86 1o96Z1 ARG 182 HB3 -0.01 0.03 0.13 -0.04 1.80 1.90 1o96Z1 ARG 182 HG2 -0.01 0.05 -0.06 -0.04 1.67 1.60 1o96Z1 ARG 182 HG3 -0.01 0.03 -0.13 -0.04 1.67 1.52 1o96Z1 ARG 182 HD2 -0.01 0.00 0.00 -0.04 3.22 3.18 1o96Z1 ARG 182 HD3 -0.01 0.03 -0.02 -0.04 3.22 3.19 1o96Z1 SER 183 H -0.05 -0.05 0.02 -0.55 8.46 7.84 1o96Z1 SER 183 HA -0.04 0.27 0.70 -0.75 4.49 4.68 1o96Z1 SER 183 HB2 -0.06 0.01 0.07 -0.04 3.95 3.93 1o96Z1 SER 183 HB3 -0.04 0.11 0.01 -0.04 3.93 3.98 1o96Z1 GLN 184 H -0.05 0.27 0.05 -0.55 8.47 8.20 1o96Z1 GLN 184 HA -0.05 0.05 0.62 -0.75 4.36 4.22 1o96Z1 GLN 184 HB2 -0.03 0.07 -0.14 -0.04 2.15 2.01 1o96Z1 GLN 184 HB3 -0.03 -0.02 0.02 -0.04 2.02 1.95 1o96Z1 GLN 184 HG2 -0.02 -0.03 -0.04 -0.04 2.40 2.28 1o96Z1 GLN 184 HG3 -0.03 0.19 -0.19 -0.04 2.39 2.31 1o96Z1 GLN 184 HE21 -0.02 -0.07 0.07 -0.04 6.97 6.91 1o96Z1 GLN 184 HE22 -0.02 0.33 0.09 -0.04 7.69 8.04 1o96Z1 ASN 185 H -0.07 0.09 0.11 -0.55 8.53 8.11 1o96Z1 ASN 185 HA -0.10 0.05 0.62 -0.75 4.76 4.58 1o96Z1 ASN 185 HB2 -0.07 -0.06 0.08 -0.04 2.88 2.78 1o96Z1 ASN 185 HB3 -0.17 0.14 0.06 -0.04 2.79 2.78 1o96Z1 ASN 185 HD21 -0.09 0.52 -0.05 -0.04 7.03 7.36 1o96Z1 ASN 185 HD22 -0.05 -0.17 -0.00 -0.04 7.74 7.48 1o96Z1 LYS 186 H -0.09 0.11 0.09 -0.55 8.42 7.97 1o96Z1 LYS 186 HA -0.04 0.17 0.59 -0.75 4.32 4.29 1o96Z1 LYS 186 HB2 -0.04 0.01 0.20 -0.04 1.87 2.00 1o96Z1 LYS 186 HB3 -0.02 0.02 0.20 -0.04 1.79 1.94 1o96Z1 LYS 186 HG2 -0.04 0.04 -0.01 -0.04 1.46 1.41 1o96Z1 LYS 186 HG3 -0.03 0.01 0.03 -0.04 1.46 1.43 1o96Z1 LYS 186 HD2 -0.02 0.01 0.00 -0.04 1.69 1.64 1o96Z1 LYS 186 HD3 -0.03 0.07 -0.53 -0.04 1.68 1.14 1o96Z1 LYS 186 HE2 -0.02 0.00 -0.03 -0.04 2.99 2.90 1o96Z1 LYS 186 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.91 1o96Z1 ASP 187 H -0.03 0.10 0.13 -0.55 8.40 8.05 1o96Z1 ASP 187 HA 0.02 0.01 0.31 -0.75 4.63 4.22 1o96Z1 ASP 187 HB2 -0.00 -0.07 0.12 -0.04 2.71 2.72 1o96Z1 ASP 187 HB3 0.03 0.30 -0.03 -0.04 2.70 2.96 1o96Z1 TYR 188 H 0.21 0.07 0.20 -0.55 8.29 8.22 1o96Z1 TYR 188 HA 0.01 0.11 0.72 -0.75 4.56 4.65 1o96Z1 TYR 188 HB2 0.01 -0.01 0.13 -0.04 3.06 3.15 1o96Z1 TYR 188 HB3 0.01 0.05 0.11 -0.04 2.98 3.11 1o96Z1 TYR 188 HD2 0.02 0.02 0.06 -0.04 7.15 7.21 1o96Z1 TYR 188 HE2 0.03 -0.04 0.03 -0.04 6.85 6.83 1o96Z1 VAL 189 H 0.14 0.26 0.03 -0.55 8.24 8.12 1o96Z1 VAL 189 HA 0.05 0.24 0.65 -0.75 4.13 4.32 1o96Z1 VAL 189 HB 0.04 -0.01 0.01 -0.04 2.12 2.11 1o96Z1 VAL 189 HG13 0.02 0.01 0.02 -0.04 0.97 0.98 1o96Z1 VAL 189 HG23 0.02 0.04 -0.30 -0.04 0.95 0.66 1o96Z1 ASP 196 HA 0.01 -0.11 0.21 -0.75 4.63 3.99 1o96Z1 ILE 197 H 0.01 0.04 0.07 -0.55 8.25 7.83 1o96Z1 ILE 197 HA 0.01 0.05 0.42 -0.75 4.18 3.91 1o96Z1 ASP 198 H 0.01 0.11 -0.01 -0.55 8.40 7.97 1o96Z1 ASP 198 HA 0.01 0.19 0.66 -0.75 4.63 4.73 1o96Z1 ASP 198 HB2 0.01 -0.01 -0.05 -0.04 2.71 2.61 1o96Z1 ASP 198 HB3 0.01 0.04 -0.13 -0.04 2.70 2.57 1o96Z1 ILE 199 H 0.01 0.21 0.09 -0.55 8.25 8.01 1o96Z1 ILE 199 HA 0.01 0.24 1.00 -0.75 4.18 4.67 1o96Z1 ILE 199 HB 0.01 0.06 0.09 -0.04 1.89 2.01 1o96Z1 ILE 199 HG12 0.01 0.08 0.08 -0.04 1.49 1.63 1o96Z1 ILE 199 HG13 0.01 -0.31 -0.18 -0.04 1.21 0.70 1o96Z1 ILE 199 HG23 0.01 0.03 -0.02 -0.04 0.93 0.91 1o96Z1 ILE 199 HD13 0.01 0.02 0.02 -0.04 0.88 0.89 1o96Z1 THR 200 H 0.02 0.31 -0.02 -0.55 8.28 8.04 1o96Z1 THR 200 HA 0.03 0.06 0.17 -0.75 4.39 3.89 1o96Z1 THR 200 HB 0.04 -0.03 0.04 -0.04 4.32 4.33 1o96Z1 THR 200 HG23 0.02 0.04 -0.08 -0.04 1.22 1.16 1o96Z1 THR 201 H 0.02 0.04 -1.13 -0.55 8.28 6.67 1o96Z1 THR 201 HA 0.04 -0.02 0.67 -0.75 4.39 4.33 1o96Z1 THR 201 HB 0.02 0.05 0.20 -0.04 4.32 4.54 1o96Z1 THR 201 HG23 0.02 -0.01 0.10 -0.04 1.22 1.29 1o96Z1 VAL 202 H 0.06 0.30 -0.53 -0.55 8.24 7.52 1o96Z1 VAL 202 HA 0.05 0.17 0.56 -0.75 4.13 4.15 1o96Z1 VAL 202 HB 0.04 -0.00 -0.14 -0.04 2.12 1.98 1o96Z1 VAL 202 HG13 0.05 0.05 0.06 -0.04 0.97 1.09 1o96Z1 VAL 202 HG23 0.03 0.08 -0.15 -0.04 0.95 0.87 1o96Z1 ASP 203 H 0.08 0.07 0.12 -0.55 8.40 8.12 1o96Z1 ASP 203 HA 0.09 0.37 0.52 -0.75 4.63 4.85 1o96Z1 ASP 203 HB2 0.10 -0.01 0.13 -0.04 2.71 2.89 1o96Z1 ASP 203 HB3 0.09 0.00 -0.01 -0.04 2.70 2.75 1o96Z1 PHE 204 H 0.17 0.09 0.18 -0.55 8.34 8.23 1o96Z1 PHE 204 HA 0.03 0.29 1.07 -0.75 4.62 5.25 1o96Z1 PHE 204 HB2 0.02 0.01 -0.07 -0.04 3.15 3.06 1o96Z1 PHE 204 HB3 0.01 0.05 0.19 -0.04 3.06 3.27 1o96Z1 PHE 204 HD2 0.01 0.19 -0.08 -0.04 7.28 7.36 1o96Z1 PHE 204 HE2 -0.00 0.10 -0.26 -0.04 7.38 7.18 1o96Z1 PHE 204 HZ -0.01 -0.02 -0.16 -0.04 7.32 7.09 1o96Z1 ILE 205 H 0.16 0.77 0.38 -0.55 8.25 9.01 1o96Z1 ILE 205 HA -0.25 0.22 1.11 -0.75 4.18 4.51 1o96Z1 ILE 205 HB -0.05 -0.00 0.07 -0.04 1.89 1.87 1o96Z1 ILE 205 HG12 -0.01 0.04 -0.13 -0.04 1.49 1.34 1o96Z1 ILE 205 HG13 0.04 -0.11 -0.59 -0.04 1.21 0.51 1o96Z1 ILE 205 HG23 -0.27 -0.01 -0.24 -0.04 0.93 0.36 1o96Z1 ILE 205 HD13 0.19 0.02 -0.13 -0.04 0.88 0.92 1o96Z1 MET 206 H -0.28 0.62 0.19 -0.55 8.47 8.45 1o96Z1 MET 206 HA -0.24 0.15 0.87 -0.75 4.52 4.55 1o96Z1 MET 206 HB2 -0.22 0.01 0.05 -0.04 2.15 1.95 1o96Z1 MET 206 HB3 -0.08 -0.03 -0.00 -0.04 2.03 1.88 1o96Z1 MET 206 HG2 -0.07 0.01 0.02 -0.04 2.63 2.55 1o96Z1 MET 206 HG3 -0.30 0.05 -0.18 -0.04 2.56 2.08 1o96Z1 MET 206 HE3 0.06 0.01 -0.13 -0.04 2.10 2.00 1o96Z1 SER 207 H -0.32 0.64 0.19 -0.55 8.46 8.43 1o96Z1 SER 207 HA -0.13 0.43 0.83 -0.75 4.49 4.86 1o96Z1 SER 207 HB2 -0.74 -0.00 -0.17 -0.04 3.95 2.99 1o96Z1 SER 207 HB3 -0.17 -0.11 -0.09 -0.04 3.93 3.52 1o96Z1 ILE 208 H -0.07 0.75 0.52 -0.55 8.25 8.91 1o96Z1 ILE 208 HA -0.18 0.31 1.30 -0.75 4.18 4.86 1o96Z1 ILE 208 HB -0.31 -0.02 0.05 -0.04 1.89 1.57 1o96Z1 ILE 208 HG12 -0.07 0.13 0.08 -0.04 1.49 1.59 1o96Z1 ILE 208 HG13 -0.05 -0.13 0.14 -0.04 1.21 1.13 1o96Z1 ILE 208 HG23 -0.49 0.01 -0.07 -0.04 0.93 0.34 1o96Z1 ILE 208 HD13 -0.03 0.00 -0.08 -0.04 0.88 0.73 1o96Z1 GLY 209 H -0.16 0.59 0.25 -0.55 8.43 8.57 1o96Z1 GLY 209 HA2 -0.06 0.01 0.93 -0.51 4.01 4.38 1o96Z1 GLY 209 HA3 -0.10 0.25 0.52 -0.51 4.01 4.18 1o96Z1 ARG 210 H -0.06 0.08 0.28 -0.55 8.46 8.21 1o96Z1 ARG 210 HA 0.02 0.12 0.49 -0.75 4.34 4.22 1o96Z1 ARG 210 HB2 -0.04 -0.04 0.17 -0.04 1.90 1.94 1o96Z1 ARG 210 HB3 -0.02 -0.03 0.13 -0.04 1.80 1.83 1o96Z1 ARG 210 HG2 0.02 0.02 -0.06 -0.04 1.67 1.61 1o96Z1 ARG 210 HG3 0.04 0.05 0.11 -0.04 1.67 1.83 1o96Z1 ARG 210 HD2 0.01 0.05 0.02 -0.04 3.22 3.26 1o96Z1 ARG 210 HD3 -0.03 0.04 0.03 -0.04 3.22 3.21 1o96Z1 GLY 211 H -0.06 0.40 -0.07 -0.55 8.43 8.16 1o96Z1 GLY 211 HA2 -0.01 0.03 0.39 -0.51 4.01 3.91 1o96Z1 GLY 211 HA3 -0.09 -0.07 0.37 -0.51 4.01 3.71 1o96Z1 ILE 212 H -0.05 0.39 -0.47 -0.55 8.25 7.57 1o96Z1 ILE 212 HA -0.03 0.01 0.32 -0.75 4.18 3.73 1o96Z1 ILE 212 HB 0.04 -0.03 0.03 -0.04 1.89 1.89 1o96Z1 ILE 212 HG12 0.06 0.26 -0.06 -0.04 1.49 1.72 1o96Z1 ILE 212 HG13 0.23 0.01 -0.33 -0.04 1.21 1.07 1o96Z1 ILE 212 HG23 -0.59 -0.01 -0.02 -0.04 0.93 0.27 1o96Z1 ILE 212 HD13 0.24 -0.01 -0.22 -0.04 0.88 0.86 1o96Z1 GLY 213 H 0.17 0.50 -0.44 -0.55 8.43 8.11 1o96Z1 GLY 213 HA2 0.17 0.02 0.36 -0.51 4.01 4.05 1o96Z1 GLY 213 HA3 0.19 0.03 0.24 -0.51 4.01 3.96 1o96Z1 GLU 214 H 0.02 0.53 0.29 -0.55 8.60 8.90 1o96Z1 GLU 214 HA -0.19 0.21 0.82 -0.75 4.29 4.37 1o96Z1 GLU 214 HB2 -0.16 -0.10 -0.02 -0.04 2.09 1.77 1o96Z1 GLU 214 HB3 -0.14 0.01 0.12 -0.04 1.99 1.93 1o96Z1 GLU 214 HG2 -0.04 0.04 -0.05 -0.04 2.34 2.25 1o96Z1 GLU 214 HG3 0.02 0.13 -0.40 -0.04 2.34 2.05 1o96Z1 GLU 215 H -0.80 0.21 0.16 -0.55 8.60 7.62 1o96Z1 GLU 215 HA -1.65 0.09 0.05 -0.75 4.29 2.02 1o96Z1 GLU 215 HB2 -1.76 0.06 0.11 -0.04 2.09 0.45 1o96Z1 GLU 215 HB3 -0.59 -0.00 0.11 -0.04 1.99 1.47 1o96Z1 GLU 215 HG2 -0.36 -0.03 -0.17 -0.04 2.34 1.74 1o96Z1 GLU 215 HG3 -0.68 -0.00 0.09 -0.04 2.34 1.71 1o96Z1 THR 216 H -0.31 0.06 -0.20 -0.55 8.28 7.27 1o96Z1 THR 216 HA -0.14 0.10 0.42 -0.75 4.39 4.02 1o96Z1 THR 216 HB -0.09 0.04 0.06 -0.04 4.32 4.30 1o96Z1 THR 216 HG23 -0.11 0.01 0.04 -0.04 1.22 1.12 1o96Z1 ASN 217 H -0.13 0.46 -0.25 -0.55 8.53 8.05 1o96Z1 ASN 217 HA 0.07 0.06 0.63 -0.75 4.76 4.78 1o96Z1 ASN 217 HB2 0.10 0.25 0.21 -0.04 2.88 3.40 1o96Z1 ASN 217 HB3 0.42 -0.08 0.16 -0.04 2.79 3.26 1o96Z1 ASN 217 HD21 -0.36 -0.06 0.04 -0.04 7.03 6.60 1o96Z1 ASN 217 HD22 0.22 0.21 0.13 -0.04 7.74 8.26 1o96Z1 VAL 218 H -0.04 0.50 -0.26 -0.55 8.24 7.88 1o96Z1 VAL 218 HA 0.11 0.02 0.28 -0.75 4.13 3.79 1o96Z1 VAL 218 HB -0.01 0.04 0.17 -0.04 2.12 2.28 1o96Z1 VAL 218 HG13 0.08 0.02 -0.15 -0.04 0.97 0.88 1o96Z1 VAL 218 HG23 0.03 0.02 0.03 -0.04 0.95 0.99 1o96Z1 GLU 219 H 0.03 0.23 -0.07 -0.55 8.60 8.23 1o96Z1 GLU 219 HA 0.04 0.06 0.39 -0.75 4.29 4.02 1o96Z1 GLU 219 HB2 -0.00 0.03 0.14 -0.04 2.09 2.22 1o96Z1 GLU 219 HB3 0.01 0.07 0.12 -0.04 1.99 2.14 1o96Z1 GLU 219 HG2 -0.00 0.03 0.03 -0.04 2.34 2.35 1o96Z1 GLU 219 HG3 0.00 0.00 -0.07 -0.04 2.34 2.23 1o96Z1 GLN 220 H 0.09 0.21 -0.36 -0.55 8.47 7.86 1o96Z1 GLN 220 HA -0.02 0.05 0.27 -0.75 4.36 3.91 1o96Z1 GLN 220 HB2 -0.08 0.02 0.07 -0.04 2.15 2.12 1o96Z1 GLN 220 HB3 -0.00 0.00 0.08 -0.04 2.02 2.06 1o96Z1 GLN 220 HG2 0.16 0.23 0.07 -0.04 2.40 2.81 1o96Z1 GLN 220 HG3 -0.33 -0.03 -0.12 -0.04 2.39 1.88 1o96Z1 GLN 220 HE21 0.08 -0.04 0.00 -0.04 6.97 6.97 1o96Z1 GLN 220 HE22 0.00 -0.00 -0.01 -0.04 7.69 7.64 1o96Z1 PHE 221 H 0.39 0.38 -0.14 -0.55 8.34 8.41 1o96Z1 PHE 221 HA -0.00 0.05 0.68 -0.75 4.62 4.60 1o96Z1 PHE 221 HB2 0.01 0.13 0.12 -0.04 3.15 3.36 1o96Z1 PHE 221 HB3 -0.02 -0.01 0.03 -0.04 3.06 3.02 1o96Z1 PHE 221 HD2 0.01 0.18 0.04 -0.04 7.28 7.47 1o96Z1 PHE 221 HE2 0.08 -0.00 -0.05 -0.04 7.38 7.36 1o96Z1 PHE 221 HZ -0.31 -0.16 -0.25 -0.04 7.32 6.57 1o96Z1 ARG 222 H 0.13 0.47 -0.12 -0.55 8.46 8.38 1o96Z1 ARG 222 HA 0.04 0.01 0.41 -0.75 4.34 4.04 1o96Z1 ARG 222 HB2 0.06 -0.01 0.13 -0.04 1.90 2.04 1o96Z1 ARG 222 HB3 0.03 0.08 0.17 -0.04 1.80 2.04 1o96Z1 ARG 222 HG2 0.02 -0.01 -0.00 -0.04 1.67 1.64 1o96Z1 ARG 222 HG3 0.03 -0.02 0.06 -0.04 1.67 1.70 1o96Z1 ARG 222 HD2 0.02 -0.02 0.03 -0.04 3.22 3.21 1o96Z1 ARG 222 HD3 0.02 0.00 0.01 -0.04 3.22 3.20 1o96Z1 GLU 223 H 0.02 0.50 -0.11 -0.55 8.60 8.46 1o96Z1 GLU 223 HA -0.00 0.01 0.38 -0.75 4.29 3.92 1o96Z1 GLU 223 HB2 -0.03 0.11 0.12 -0.04 2.09 2.25 1o96Z1 GLU 223 HB3 -0.02 0.00 0.03 -0.04 1.99 1.96 1o96Z1 GLU 223 HG2 -0.00 -0.01 0.01 -0.04 2.34 2.29 1o96Z1 GLU 223 HG3 0.00 0.09 0.05 -0.04 2.34 2.44 1o96Z1 LEU 224 H -0.04 0.41 -0.12 -0.55 8.37 8.07 1o96Z1 LEU 224 HA -0.04 0.04 0.41 -0.75 4.35 4.01 1o96Z1 LEU 224 HB2 -0.16 0.09 0.20 -0.04 1.64 1.73 1o96Z1 LEU 224 HB3 -0.03 0.03 0.16 -0.04 1.64 1.76 1o96Z1 LEU 224 HG -0.13 0.06 0.07 -0.04 1.64 1.60 1o96Z1 LEU 224 HD13 -0.01 -0.02 -0.07 -0.04 0.93 0.79 1o96Z1 LEU 224 HD23 -0.02 -0.01 -0.09 -0.04 0.89 0.73 1o96Z1 ALA 225 H -0.00 0.76 -0.15 -0.55 8.40 8.47 1o96Z1 ALA 225 HA -0.09 -0.07 0.37 -0.75 4.34 3.80 1o96Z1 ALA 225 HB3 -0.07 0.03 -0.03 -0.04 1.41 1.30 1o96Z1 ASP 226 H -0.01 0.57 -0.03 -0.55 8.40 8.39 1o96Z1 ASP 226 HA -0.01 0.01 0.46 -0.75 4.63 4.34 1o96Z1 ASP 226 HB2 -0.00 0.06 0.27 -0.04 2.71 2.99 1o96Z1 ASP 226 HB3 -0.00 -0.02 -0.03 -0.04 2.70 2.61 1o96Z1 GLU 227 H -0.00 0.64 0.04 -0.55 8.60 8.73 1o96Z1 GLU 227 HA 0.01 0.02 0.43 -0.75 4.29 4.00 1o96Z1 ALA 228 H 0.01 0.48 -0.14 -0.55 8.40 8.21 1o96Z1 ALA 228 HA 0.08 0.13 0.70 -0.75 4.34 4.49 1o96Z1 ALA 228 HB3 0.12 -0.05 0.01 -0.04 1.41 1.45 1o96Z1 GLY 229 H 0.03 0.35 -0.36 -0.55 8.43 7.90 1o96Z1 GLY 229 HA2 0.04 0.08 0.32 -0.51 4.01 3.94 1o96Z1 GLY 229 HA3 0.12 0.01 0.54 -0.51 4.01 4.18 1o96Z1 ALA 230 H -0.18 0.19 0.03 -0.55 8.40 7.88 1o96Z1 ALA 230 HA -0.43 0.17 0.80 -0.75 4.34 4.12 1o96Z1 ALA 230 HB3 -1.29 -0.05 -0.22 -0.04 1.41 -0.19 1o96Z1 THR 231 H -0.17 0.63 0.34 -0.55 8.28 8.53 1o96Z1 THR 231 HA -0.06 0.13 0.80 -0.75 4.39 4.51 1o96Z1 THR 231 HB -0.05 -0.04 0.06 -0.04 4.32 4.26 1o96Z1 THR 231 HG23 -0.01 0.01 -0.18 -0.04 1.22 1.00 1o96Z1 LEU 232 H -0.04 0.14 0.10 -0.55 8.37 8.01 1o96Z1 LEU 232 HA -0.08 0.26 0.85 -0.75 4.35 4.62 1o96Z1 LEU 232 HB2 -0.02 0.03 0.09 -0.04 1.64 1.71 1o96Z1 LEU 232 HB3 -0.00 -0.05 0.15 -0.04 1.64 1.69 1o96Z1 LEU 232 HG -0.00 -0.00 -0.19 -0.04 1.64 1.41 1o96Z1 LEU 232 HD13 0.00 0.09 0.03 -0.04 0.93 1.01 1o96Z1 LEU 232 HD23 0.05 -0.03 -0.07 -0.04 0.89 0.79 1o96Z1 CYS 233 H -0.09 0.52 0.27 -0.55 8.50 8.66 1o96Z1 CYS 233 HA -0.00 0.24 0.85 -0.75 4.58 4.91 1o96Z1 CYS 233 HB2 -0.05 -0.12 -0.09 -0.04 2.97 2.67 1o96Z1 CYS 233 HB3 0.04 0.08 0.11 -0.04 2.97 3.16 1o96Z1 CYS 234 H 0.03 0.67 0.28 -0.55 8.50 8.93 1o96Z1 CYS 234 HA 0.03 0.04 0.76 -0.75 4.58 4.65 1o96Z1 CYS 234 HB2 0.01 0.03 0.20 -0.04 2.97 3.17 1o96Z1 CYS 234 HB3 0.01 0.02 -0.14 -0.04 2.97 2.82 1o96Z1 SER 235 H 0.05 0.45 0.21 -0.55 8.46 8.63 1o96Z1 SER 235 HA 0.28 0.24 0.64 -0.75 4.49 4.89 1o96Z1 SER 235 HB2 0.11 -0.10 0.20 -0.04 3.95 4.11 1o96Z1 SER 235 HB3 -0.00 0.04 0.08 -0.04 3.93 4.00 1o96Z1 ARG 236 H 0.08 0.11 0.15 -0.55 8.46 8.25 1o96Z1 ARG 236 HA -0.02 0.14 0.35 -0.75 4.34 4.06 1o96Z1 ARG 236 HB2 0.01 0.04 0.06 -0.04 1.90 1.96 1o96Z1 ARG 236 HB3 -0.01 -0.03 0.09 -0.04 1.80 1.82 1o96Z1 ARG 236 HG2 -0.05 -0.06 -0.10 -0.04 1.67 1.42 1o96Z1 ARG 236 HG3 -0.02 0.09 -0.04 -0.04 1.67 1.65 1o96Z1 ARG 236 HD2 -0.02 -0.03 -0.05 -0.04 3.22 3.08 1o96Z1 ARG 236 HD3 -0.03 -0.02 -0.08 -0.04 3.22 3.05 1o96Z1 PRO 237 HA -0.15 0.10 0.30 -0.51 4.44 4.18 1o96Z1 PRO 237 HB2 -0.17 0.09 -0.06 -0.04 2.28 2.09 1o96Z1 PRO 237 HB3 -0.12 0.09 0.08 -0.04 2.02 2.03 1o96Z1 PRO 237 HG2 -0.07 -0.08 0.07 -0.04 2.03 1.92 1o96Z1 PRO 237 HG3 -0.06 0.06 0.09 -0.04 2.03 2.08 1o96Z1 PRO 237 HD2 -0.03 -0.00 -0.20 -0.04 3.68 3.41 1o96Z1 PRO 237 HD3 -0.03 0.08 0.13 -0.04 3.65 3.79 1o96Z1 ILE 238 H -0.12 0.16 -0.37 -0.55 8.25 7.37 1o96Z1 ILE 238 HA -0.44 0.04 0.22 -0.75 4.18 3.24 1o96Z1 ILE 238 HB -0.03 0.16 -0.02 -0.04 1.89 1.96 1o96Z1 ILE 238 HG12 -0.03 -0.17 -0.15 -0.04 1.49 1.10 1o96Z1 ILE 238 HG13 0.04 0.10 -0.17 -0.04 1.21 1.15 1o96Z1 ILE 238 HG23 0.13 0.00 -0.29 -0.04 0.93 0.73 1o96Z1 ILE 238 HD13 0.10 0.02 -0.23 -0.04 0.88 0.74 1o96Z1 ALA 239 H -0.08 0.27 -0.22 -0.55 8.40 7.82 1o96Z1 ALA 239 HA -0.05 0.20 0.50 -0.75 4.34 4.24 1o96Z1 ALA 239 HB3 -0.03 -0.00 -0.03 -0.04 1.41 1.31 1o96Z1 ASP 240 H -0.13 0.57 -0.06 -0.55 8.40 8.23 1o96Z1 ASP 240 HA -0.09 0.03 0.38 -0.75 4.63 4.20 1o96Z1 ASP 240 HB2 -0.16 0.02 0.13 -0.04 2.71 2.66 1o96Z1 ASP 240 HB3 -0.11 -0.00 -0.03 -0.04 2.70 2.51 1o96Z1 ALA 241 H -0.40 0.54 -0.16 -0.55 8.40 7.83 1o96Z1 ALA 241 HA -0.25 0.05 0.45 -0.75 4.34 3.83 1o96Z1 ALA 241 HB3 -1.13 -0.02 0.08 -0.04 1.41 0.31 1o96Z1 GLY 242 H -0.19 0.33 -0.56 -0.55 8.43 7.46 1o96Z1 GLY 242 HA2 0.00 0.07 0.28 -0.51 4.01 3.85 1o96Z1 GLY 242 HA3 0.05 0.08 0.54 -0.51 4.01 4.17 1o96Z1 TRP 243 H -0.11 0.25 -0.14 -0.55 7.97 7.43 1o96Z1 TRP 243 HA 0.01 0.08 0.34 -0.75 4.62 4.29 1o96Z1 TRP 243 HB2 -0.00 -0.01 -0.07 -0.04 3.23 3.11 1o96Z1 TRP 243 HB3 0.01 -0.03 0.04 -0.04 3.23 3.20 1o96Z1 TRP 243 HD1 0.01 0.09 -0.27 -0.04 7.22 7.01 1o96Z1 TRP 243 HE1 0.01 0.05 -0.01 -0.04 10.20 10.21 1o96Z1 TRP 243 HE3 -0.01 0.01 -0.17 -0.04 7.59 7.38 1o96Z1 TRP 243 HZ2 0.01 0.03 0.02 -0.04 7.44 7.45 1o96Z1 TRP 243 HZ3 0.00 -0.00 -0.35 -0.04 7.13 6.74 1o96Z1 TRP 243 HH2 0.01 0.17 -0.10 -0.04 7.19 7.22 1o96Z1 LEU 244 H 0.10 0.24 -0.32 -0.55 8.37 7.84 1o96Z1 LEU 244 HA 0.08 0.17 0.38 -0.75 4.35 4.23 1o96Z1 LEU 244 HB2 0.06 -0.13 -0.22 -0.04 1.64 1.31 1o96Z1 LEU 244 HB3 0.04 0.07 -0.10 -0.04 1.64 1.62 1o96Z1 LEU 244 HG 0.13 0.02 -0.36 -0.04 1.64 1.39 1o96Z1 LEU 244 HD13 0.05 -0.02 -0.23 -0.04 0.93 0.68 1o96Z1 LEU 244 HD23 0.06 0.02 0.01 -0.04 0.89 0.94 1o96Z1 PRO 245 HA 0.02 0.11 0.52 -0.51 4.44 4.58 1o96Z1 PRO 245 HB2 0.02 -0.08 0.03 -0.04 2.28 2.21 1o96Z1 PRO 245 HB3 0.02 0.11 0.12 -0.04 2.02 2.23 1o96Z1 PRO 245 HG2 0.02 0.03 0.07 -0.04 2.03 2.11 1o96Z1 PRO 245 HG3 0.03 0.09 0.07 -0.04 2.03 2.18 1o96Z1 PRO 245 HD2 0.04 0.11 0.16 -0.04 3.68 3.94 1o96Z1 PRO 245 HD3 0.05 0.21 0.06 -0.04 3.65 3.93 1o96Z1 LYS 246 H 0.00 0.23 0.19 -0.55 8.42 8.28 1o96Z1 LYS 246 HA -0.01 0.01 0.28 -0.75 4.32 3.85 1o96Z1 LYS 246 HB2 -0.00 0.03 0.15 -0.04 1.87 2.00 1o96Z1 LYS 246 HB3 -0.00 0.07 0.00 -0.04 1.79 1.82 1o96Z1 LYS 246 HG2 -0.01 0.07 0.02 -0.04 1.46 1.49 1o96Z1 LYS 246 HG3 -0.01 -0.07 0.06 -0.04 1.46 1.40 1o96Z1 LYS 246 HD2 -0.03 0.06 -0.11 -0.04 1.69 1.57 1o96Z1 LYS 246 HD3 -0.02 0.03 -0.02 -0.04 1.68 1.63 1o96Z1 LYS 246 HE2 -0.03 -0.08 -0.07 -0.04 2.99 2.76 1o96Z1 LYS 246 HE3 -0.04 0.01 -0.16 -0.04 2.99 2.76 1o96Z1 SER 247 H 0.01 -0.02 -0.66 -0.55 8.46 7.24 1o96Z1 SER 247 HA 0.00 0.07 0.34 -0.75 4.49 4.15 1o96Z1 ARG 248 H 0.01 0.96 -0.34 -0.55 8.46 8.53 1o96Z1 ARG 248 HA 0.01 0.22 0.96 -0.75 4.34 4.77 1o96Z1 ARG 248 HB2 0.02 -0.02 -0.07 -0.04 1.90 1.79 1o96Z1 ARG 248 HB3 0.01 -0.01 0.20 -0.04 1.80 1.95 1o96Z1 ARG 248 HG2 0.02 -0.08 -0.13 -0.04 1.67 1.43 1o96Z1 ARG 248 HG3 0.02 -0.03 -0.01 -0.04 1.67 1.61 1o96Z1 ARG 248 HD2 0.01 0.19 0.04 -0.04 3.22 3.42 1o96Z1 ARG 248 HD3 0.01 0.10 -0.16 -0.04 3.22 3.13 1o96Z1 GLN 249 H 0.00 0.48 -0.09 -0.55 8.47 8.32 1o96Z1 GLN 249 HA 0.01 0.28 0.67 -0.75 4.36 4.56 1o96Z1 GLN 249 HB2 -0.01 -0.08 -0.02 -0.04 2.15 2.00 1o96Z1 GLN 249 HB3 -0.01 0.17 0.14 -0.04 2.02 2.27 1o96Z1 GLN 249 HG2 -0.02 -0.01 -0.52 -0.04 2.40 1.81 1o96Z1 GLN 249 HG3 0.00 -0.10 -0.38 -0.04 2.39 1.87 1o96Z1 GLN 249 HE21 -0.02 0.04 -0.23 -0.04 6.97 6.72 1o96Z1 GLN 249 HE22 -0.02 -0.11 -0.44 -0.04 7.69 7.08 1o96Z1 VAL 250 H -0.00 0.54 0.32 -0.55 8.24 8.55 1o96Z1 VAL 250 HA -0.06 0.22 0.84 -0.75 4.13 4.37 1o96Z1 VAL 250 HB -0.13 -0.12 0.04 -0.04 2.12 1.87 1o96Z1 VAL 250 HG13 -0.32 0.03 -0.19 -0.04 0.97 0.46 1o96Z1 VAL 250 HG23 0.14 0.03 -0.09 -0.04 0.95 1.00 1o96Z1 GLY 251 H -0.10 0.61 0.15 -0.55 8.43 8.55 1o96Z1 GLY 251 HA2 -0.15 0.07 0.24 -0.51 4.01 3.66 1o96Z1 GLY 251 HA3 -0.11 -0.02 0.77 -0.51 4.01 4.15 1o96Z1 GLN 252 H -0.04 0.29 0.10 -0.55 8.47 8.28 1o96Z1 GLN 252 HA -0.03 0.13 0.20 -0.75 4.36 3.90 1o96Z1 GLN 252 HB2 -0.01 0.02 0.18 -0.04 2.15 2.29 1o96Z1 GLN 252 HB3 -0.01 -0.12 0.11 -0.04 2.02 1.95 1o96Z1 GLN 252 HG2 -0.02 0.01 -0.13 -0.04 2.40 2.22 1o96Z1 GLN 252 HG3 -0.02 0.06 0.02 -0.04 2.39 2.42 1o96Z1 GLN 252 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.94 1o96Z1 GLN 252 HE22 0.01 0.08 0.01 -0.04 7.69 7.74 1o96Z1 SER 253 H -0.02 -0.03 -0.28 -0.55 8.46 7.58 1o96Z1 SER 253 HA -0.02 0.26 0.68 -0.75 4.49 4.66 1o96Z1 SER 253 HB2 -0.01 0.05 0.12 -0.04 3.95 4.07 1o96Z1 SER 253 HB3 -0.02 -0.06 -0.04 -0.04 3.93 3.77 1o96Z1 GLY 254 H -0.03 0.26 -0.85 -0.55 8.43 7.27 1o96Z1 GLY 254 HA2 -0.02 0.13 0.54 -0.51 4.01 4.16 1o96Z1 GLY 254 HA3 -0.03 0.01 0.16 -0.51 4.01 3.65 1o96Z1 LYS 255 H -0.03 0.41 0.27 -0.55 8.42 8.53 1o96Z1 LYS 255 HA -0.02 0.27 1.17 -0.75 4.32 4.99 1o96Z1 LYS 255 HB2 0.00 -0.02 -0.13 -0.04 1.87 1.68 1o96Z1 LYS 255 HB3 -0.01 0.01 0.01 -0.04 1.79 1.77 1o96Z1 LYS 255 HG2 -0.00 0.12 -0.09 -0.04 1.46 1.45 1o96Z1 LYS 255 HG3 0.00 -0.05 -0.05 -0.04 1.46 1.32 1o96Z1 LYS 255 HD2 -0.00 -0.03 -0.09 -0.04 1.69 1.52 1o96Z1 LYS 255 HD3 -0.01 0.14 -0.26 -0.04 1.68 1.51 1o96Z1 LYS 255 HE2 -0.01 -0.25 -0.48 -0.04 2.99 2.21 1o96Z1 LYS 255 HE3 -0.00 0.08 -0.13 -0.04 2.99 2.90 1o96Z1 VAL 256 H -0.03 0.16 0.16 -0.55 8.24 7.98 1o96Z1 VAL 256 HA -0.03 0.26 0.84 -0.75 4.13 4.44 1o96Z1 VAL 256 HB -0.06 -0.07 0.18 -0.04 2.12 2.12 1o96Z1 VAL 256 HG13 -0.20 -0.00 -0.11 -0.04 0.97 0.62 1o96Z1 VAL 256 HG23 -0.07 0.05 -0.02 -0.04 0.95 0.87 1o96Z1 VAL 257 H 0.08 0.56 0.17 -0.55 8.24 8.50 1o96Z1 VAL 257 HA 0.07 0.17 0.72 -0.75 4.13 4.34 1o96Z1 VAL 257 HB 0.13 -0.01 0.13 -0.04 2.12 2.33 1o96Z1 VAL 257 HG13 0.11 0.02 -0.07 -0.04 0.97 0.98 1o96Z1 VAL 257 HG23 0.06 0.04 0.13 -0.04 0.95 1.13 1o96Z1 GLY 258 H 0.02 0.41 -0.02 -0.55 8.43 8.30 1o96Z1 GLY 258 HA2 -0.07 0.05 0.24 -0.51 4.01 3.72 1o96Z1 GLY 258 HA3 -0.01 0.01 0.28 -0.51 4.01 3.78 1o96Z1 SER 259 H 0.08 0.02 -0.22 -0.55 8.46 7.80 1o96Z1 SER 259 HA 0.07 0.17 0.62 -0.75 4.49 4.60 1o96Z1 SER 259 HB2 0.06 0.19 -0.30 -0.04 3.95 3.85 1o96Z1 SER 259 HB3 0.05 -0.06 -0.01 -0.04 3.93 3.87 1o96Z1 CYS 260 H 0.14 0.33 -0.33 -0.55 8.50 8.09 1o96Z1 CYS 260 HA 0.10 0.08 0.53 -0.75 4.58 4.54 1o96Z1 CYS 260 HB2 0.13 -0.07 -0.14 -0.04 2.97 2.86 1o96Z1 CYS 260 HB3 0.10 0.10 0.09 -0.04 2.97 3.21 1o96Z1 LYS 261 H 0.09 0.42 0.43 -0.55 8.42 8.81 1o96Z1 LYS 261 HA 0.03 0.15 0.79 -0.75 4.32 4.53 1o96Z1 LEU 262 H 0.14 0.36 0.23 -0.55 8.37 8.55 1o96Z1 LEU 262 HA 0.12 0.35 0.95 -0.75 4.35 5.01 1o96Z1 LEU 262 HB2 -0.03 0.03 -0.06 -0.04 1.64 1.55 1o96Z1 LEU 262 HB3 0.10 -0.07 0.19 -0.04 1.64 1.82 1o96Z1 LEU 262 HG 0.29 -0.04 -0.20 -0.04 1.64 1.65 1o96Z1 LEU 262 HD13 0.08 0.03 -0.04 -0.04 0.93 0.95 1o96Z1 LEU 262 HD23 -0.62 -0.01 -0.06 -0.04 0.89 0.16 1o96Z1 TYR 263 H 0.21 0.70 0.30 -0.55 8.29 8.95 1o96Z1 TYR 263 HA 0.09 0.13 0.96 -0.75 4.56 4.98 1o96Z1 TYR 263 HB2 0.00 0.05 -0.12 -0.04 3.06 2.96 1o96Z1 TYR 263 HB3 0.02 0.03 0.10 -0.04 2.98 3.09 1o96Z1 TYR 263 HD2 0.02 0.02 -0.16 -0.04 7.15 6.99 1o96Z1 TYR 263 HE2 0.08 -0.05 -0.15 -0.04 6.85 6.68 1o96Z1 VAL 264 H -0.29 0.41 0.18 -0.55 8.24 8.00 1o96Z1 VAL 264 HA 0.06 0.24 1.10 -0.75 4.13 4.78 1o96Z1 VAL 264 HB -0.06 -0.06 0.29 -0.04 2.12 2.25 1o96Z1 VAL 264 HG13 0.04 -0.02 -0.20 -0.04 0.97 0.74 1o96Z1 VAL 264 HG23 0.20 0.03 -0.14 -0.04 0.95 1.00 1o96Z1 ALA 265 H 0.06 1.04 0.40 -0.55 8.40 9.35 1o96Z1 ALA 265 HA -0.04 0.06 0.46 -0.75 4.34 4.07 1o96Z1 ALA 265 HB3 0.09 -0.01 0.08 -0.04 1.41 1.53 1o96Z1 MET 266 H -0.09 0.74 0.38 -0.55 8.47 8.94 1o96Z1 MET 266 HA -0.06 0.30 1.23 -0.75 4.52 5.25 1o96Z1 MET 266 HB2 -0.09 0.07 0.14 -0.04 2.15 2.23 1o96Z1 MET 266 HB3 -0.07 -0.10 0.02 -0.04 2.03 1.84 1o96Z1 MET 266 HG2 0.03 -0.02 -0.02 -0.04 2.63 2.58 1o96Z1 MET 266 HG3 0.01 0.04 -0.43 -0.04 2.56 2.14 1o96Z1 MET 266 HE3 0.10 0.02 -0.12 -0.04 2.10 2.06 1o96Z1 GLY 267 H -0.10 0.64 0.32 -0.55 8.43 8.75 1o96Z1 GLY 267 HA2 -0.10 0.03 0.43 -0.51 4.01 3.87 1o96Z1 GLY 267 HA3 -0.14 0.00 0.43 -0.51 4.01 3.79 1o96Z1 ILE 268 H -0.13 0.30 -0.12 -0.55 8.25 7.75 1o96Z1 ILE 268 HA -0.15 -0.02 0.81 -0.75 4.18 4.06 1o96Z1 ILE 268 HB -0.17 0.10 -0.10 -0.04 1.89 1.69 1o96Z1 ILE 268 HG12 -0.14 -0.10 -0.21 -0.04 1.49 1.00 1o96Z1 ILE 268 HG13 -0.13 0.03 -0.84 -0.04 1.21 0.23 1o96Z1 ILE 268 HG23 -0.56 -0.00 -0.14 -0.04 0.93 0.19 1o96Z1 ILE 268 HD13 -0.03 -0.01 -0.44 -0.04 0.88 0.37 1o96Z1 SER 269 H -0.12 0.11 0.08 -0.55 8.46 7.98 1o96Z1 SER 269 HA -0.13 0.13 0.39 -0.75 4.49 4.12 1o96Z1 SER 269 HB2 -0.06 0.08 0.07 -0.04 3.95 4.00 1o96Z1 SER 269 HB3 -0.06 0.01 0.10 -0.04 3.93 3.93 1o96Z1 GLY 270 H -0.19 -0.08 -0.18 -0.55 8.43 7.43 1o96Z1 GLY 270 HA2 -0.15 0.04 0.14 -0.51 4.01 3.53 1o96Z1 GLY 270 HA3 -0.11 0.23 0.45 -0.51 4.01 4.06 1o96Z1 SER 271 H -0.07 -0.12 0.03 -0.55 8.46 7.76 1o96Z1 SER 271 HA -0.02 0.20 0.39 -0.75 4.49 4.30 1o96Z1 SER 271 HB2 0.00 0.03 0.11 -0.04 3.95 4.05 1o96Z1 SER 271 HB3 -0.02 0.06 0.12 -0.04 3.93 4.05 1o96Z1 ILE 272 H -0.01 0.17 0.13 -0.55 8.25 7.99 1o96Z1 ILE 272 HA -0.03 0.24 0.39 -0.75 4.18 4.02 1o96Z1 ILE 272 HB -0.00 -0.14 0.15 -0.04 1.89 1.85 1o96Z1 ILE 272 HG12 -0.02 -0.07 0.09 -0.04 1.49 1.44 1o96Z1 ILE 272 HG13 -0.03 0.04 0.04 -0.04 1.21 1.22 1o96Z1 ILE 272 HG23 -0.02 0.03 -0.15 -0.04 0.93 0.76 1o96Z1 ILE 272 HD13 -0.09 0.05 0.01 -0.04 0.88 0.81 1o96Z1 GLN 273 H 0.01 0.07 -0.15 -0.55 8.47 7.85 1o96Z1 GLN 273 HA 0.00 0.16 0.35 -0.75 4.36 4.12 1o96Z1 GLN 273 HB2 0.02 -0.04 0.04 -0.04 2.15 2.13 1o96Z1 GLN 273 HB3 0.00 -0.07 0.04 -0.04 2.02 1.96 1o96Z1 GLN 273 HG2 0.01 0.05 0.01 -0.04 2.40 2.44 1o96Z1 GLN 273 HG3 0.01 0.09 0.03 -0.04 2.39 2.48 1o96Z1 GLN 273 HE21 0.02 0.02 0.02 -0.04 6.97 6.99 1o96Z1 GLN 273 HE22 0.05 0.08 -0.01 -0.04 7.69 7.76 1o96Z1 HIS 274 H 0.09 0.11 -0.40 -0.55 8.41 7.67 1o96Z1 HIS 274 HA -0.03 0.13 0.47 -0.75 4.63 4.46 1o96Z1 HIS 274 HB2 -0.02 -0.14 0.09 -0.04 3.26 3.14 1o96Z1 HIS 274 HB3 -0.04 0.04 -0.01 -0.04 3.20 3.15 1o96Z1 HIS 274 HD2 -0.06 0.10 -0.38 -0.04 6.97 6.58 1o96Z1 HIS 274 HE1 0.09 -0.01 -0.25 -0.04 7.75 7.54 1o96Z1 MET 275 H 0.05 0.47 -0.27 -0.55 8.47 8.18 1o96Z1 MET 275 HA 0.01 0.05 0.28 -0.75 4.52 4.10 1o96Z1 MET 275 HB2 -0.02 0.14 0.08 -0.04 2.15 2.31 1o96Z1 MET 275 HB3 -0.03 0.03 -0.07 -0.04 2.03 1.92 1o96Z1 MET 275 HG2 -0.02 -0.01 -0.09 -0.04 2.63 2.47 1o96Z1 MET 275 HG3 -0.00 -0.05 -0.19 -0.04 2.56 2.28 1o96Z1 MET 275 HE3 -0.05 -0.01 -0.14 -0.04 2.10 1.87 1o96Z1 ALA 276 H -0.02 0.38 -0.27 -0.55 8.40 7.94 1o96Z1 ALA 276 HA -0.03 0.09 0.26 -0.75 4.34 3.92 1o96Z1 ALA 276 HB3 -0.03 0.00 0.03 -0.04 1.41 1.38 1o96Z1 GLY 277 H -0.09 0.14 -1.06 -0.55 8.43 6.88 1o96Z1 GLY 277 HA2 -0.07 0.08 0.39 -0.51 4.01 3.90 1o96Z1 GLY 277 HA3 -0.17 -0.02 0.18 -0.51 4.01 3.49 1o96Z1 MET 278 H -0.11 0.42 -0.07 -0.55 8.47 8.17 1o96Z1 MET 278 HA -0.09 0.16 0.80 -0.75 4.52 4.63 1o96Z1 MET 278 HB2 -0.96 0.03 0.07 -0.04 2.15 1.24 1o96Z1 MET 278 HB3 -0.63 -0.00 -0.23 -0.04 2.03 1.12 1o96Z1 MET 278 HG2 -0.93 -0.09 -0.16 -0.04 2.63 1.41 1o96Z1 MET 278 HG3 -0.39 0.08 -0.13 -0.04 2.56 2.09 1o96Z1 MET 278 HE3 -0.21 0.01 -0.16 -0.04 2.10 1.70 1o96Z1 LYS 279 H 0.01 0.42 0.10 -0.55 8.42 8.38 1o96Z1 LYS 279 HA -0.09 0.08 0.33 -0.75 4.32 3.88 1o96Z1 LYS 279 HB2 -0.04 0.03 0.03 -0.04 1.87 1.84 1o96Z1 LYS 279 HB3 -0.03 -0.02 0.01 -0.04 1.79 1.70 1o96Z1 LYS 279 HG2 0.03 -0.05 -0.09 -0.04 1.46 1.31 1o96Z1 LYS 279 HG3 -0.01 0.06 -0.19 -0.04 1.46 1.28 1o96Z1 LYS 279 HD2 -0.03 -0.10 -0.22 -0.04 1.69 1.30 1o96Z1 LYS 279 HD3 -0.03 0.05 -0.08 -0.04 1.68 1.58 1o96Z1 LYS 279 HE2 -0.06 -0.09 -0.10 -0.04 2.99 2.70 1o96Z1 LYS 279 HE3 -0.06 0.02 -0.08 -0.04 2.99 2.83 1o96Z1 HIS 280 H 0.27 -0.00 -0.29 -0.55 8.41 7.85 1o96Z1 HIS 280 HA -0.04 0.09 0.31 -0.75 4.63 4.23 1o96Z1 HIS 280 HB2 -0.03 0.03 -0.01 -0.04 3.26 3.21 1o96Z1 HIS 280 HB3 -0.04 -0.06 -0.01 -0.04 3.20 3.05 1o96Z1 HIS 280 HD2 -0.01 0.05 -0.18 -0.04 6.97 6.78 1o96Z1 HIS 280 HE1 -0.09 0.04 -0.02 -0.04 7.75 7.64 1o96Z1 VAL 281 H -0.67 0.10 -0.46 -0.55 8.24 6.66 1o96Z1 VAL 281 HA -0.25 0.19 0.35 -0.75 4.13 3.67 1o96Z1 VAL 281 HB -0.18 0.00 -0.05 -0.04 2.12 1.85 1o96Z1 VAL 281 HG13 0.03 -0.05 -0.46 -0.04 0.97 0.44 1o96Z1 VAL 281 HG23 -0.29 0.02 -0.03 -0.04 0.95 0.61 1o96Z1 PRO 282 HA -0.02 0.07 0.43 -0.51 4.44 4.42 1o96Z1 PRO 282 HB2 0.01 0.03 0.15 -0.04 2.28 2.43 1o96Z1 PRO 282 HB3 0.00 -0.05 0.15 -0.04 2.02 2.08 1o96Z1 PRO 282 HG2 0.02 -0.04 0.12 -0.04 2.03 2.09 1o96Z1 PRO 282 HG3 0.01 0.04 0.14 -0.04 2.03 2.18 1o96Z1 PRO 282 HD2 -0.01 0.11 0.36 -0.04 3.68 4.10 1o96Z1 PRO 282 HD3 -0.04 0.17 0.23 -0.04 3.65 3.98 1o96Z1 THR 283 H 0.03 0.43 -0.03 -0.55 8.28 8.15 1o96Z1 THR 283 HA 0.04 0.17 1.03 -0.75 4.39 4.88 1o96Z1 THR 283 HB 0.07 0.08 0.34 -0.04 4.32 4.77 1o96Z1 THR 283 HG23 0.18 -0.03 -0.11 -0.04 1.22 1.22 1o96Z1 ILE 284 H 0.04 0.16 0.17 -0.55 8.25 8.07 1o96Z1 ILE 284 HA 0.15 0.25 1.22 -0.75 4.18 5.05 1o96Z1 ILE 284 HB 0.03 -0.07 0.13 -0.04 1.89 1.95 1o96Z1 ILE 284 HG12 0.00 -0.08 -0.06 -0.04 1.49 1.31 1o96Z1 ILE 284 HG13 0.00 0.05 -0.43 -0.04 1.21 0.79 1o96Z1 ILE 284 HG23 0.12 -0.03 -0.14 -0.04 0.93 0.84 1o96Z1 ILE 284 HD13 -0.07 0.02 -0.09 -0.04 0.88 0.70 1o96Z1 ILE 285 H 0.16 0.85 0.46 -0.55 8.25 9.18 1o96Z1 ILE 285 HA 0.20 0.27 1.09 -0.75 4.18 4.98 1o96Z1 ILE 285 HB 0.11 -0.08 0.13 -0.04 1.89 2.01 1o96Z1 ILE 285 HG12 0.23 0.04 -0.10 -0.04 1.49 1.61 1o96Z1 ILE 285 HG13 0.16 0.02 -0.23 -0.04 1.21 1.12 1o96Z1 ILE 285 HG23 0.11 -0.01 -0.20 -0.04 0.93 0.79 1o96Z1 ILE 285 HD13 0.04 -0.00 -0.10 -0.04 0.88 0.78 1o96Z1 ALA 286 H 0.17 0.69 0.30 -0.55 8.40 9.01 1o96Z1 ALA 286 HA 0.01 0.23 1.13 -0.75 4.34 4.96 1o96Z1 ALA 286 HB3 -0.14 -0.01 -0.03 -0.04 1.41 1.20 1o96Z1 VAL 287 H 0.00 0.86 0.38 -0.55 8.24 8.93 1o96Z1 VAL 287 HA 0.12 0.32 1.07 -0.75 4.13 4.88 1o96Z1 VAL 287 HB 0.02 -0.09 0.23 -0.04 2.12 2.24 1o96Z1 VAL 287 HG13 0.03 -0.03 -0.16 -0.04 0.97 0.78 1o96Z1 VAL 287 HG23 0.06 0.02 -0.20 -0.04 0.95 0.79 1o96Z1 ASN 288 H 0.19 0.71 0.26 -0.55 8.53 9.14 1o96Z1 ASN 288 HA -0.00 -0.08 0.80 -0.75 4.76 4.72 1o96Z1 ASN 288 HB2 -0.21 0.04 -0.31 -0.04 2.88 2.36 1o96Z1 ASN 288 HB3 -0.04 0.15 -0.11 -0.04 2.79 2.75 1o96Z1 ASN 288 HD21 -0.09 -0.08 -0.18 -0.04 7.03 6.64 1o96Z1 ASN 288 HD22 -0.18 0.12 -0.29 -0.04 7.74 7.35 1o96Z1 THR 289 H 0.04 0.07 0.12 -0.55 8.28 7.96 1o96Z1 THR 289 HA 0.08 0.17 0.55 -0.75 4.39 4.44 1o96Z1 THR 289 HB 0.05 0.07 0.04 -0.04 4.32 4.43 1o96Z1 THR 289 HG23 0.04 0.00 -0.27 -0.04 1.22 0.95 1o96Z1 ASP 290 H 0.10 -0.00 -0.26 -0.55 8.40 7.68 1o96Z1 ASP 290 HA 0.08 0.30 0.91 -0.75 4.63 5.17 1o96Z1 ASP 290 HB2 0.05 0.07 0.00 -0.04 2.71 2.79 1o96Z1 ASP 290 HB3 0.05 -0.08 0.11 -0.04 2.70 2.74 1o96Z1 PRO 291 HA -0.08 0.10 0.38 -0.51 4.44 4.33 1o96Z1 PRO 291 HB2 -0.02 0.07 -0.09 -0.04 2.28 2.19 1o96Z1 PRO 291 HB3 -0.12 0.06 0.07 -0.04 2.02 1.99 1o96Z1 PRO 291 HG2 0.01 0.01 0.09 -0.04 2.03 2.09 1o96Z1 PRO 291 HG3 -0.02 0.07 0.08 -0.04 2.03 2.12 1o96Z1 PRO 291 HD2 0.05 0.07 0.38 -0.04 3.68 4.14 1o96Z1 PRO 291 HD3 0.05 0.28 -0.00 -0.04 3.65 3.93 1o96Z1 GLY 292 H 0.09 0.01 -0.40 -0.55 8.43 7.58 1o96Z1 GLY 292 HA2 0.07 0.13 0.28 -0.51 4.01 3.98 1o96Z1 GLY 292 HA3 0.06 -0.03 0.22 -0.51 4.01 3.75 1o96Z1 ALA 293 H 0.20 0.46 -0.46 -0.55 8.40 8.05 1o96Z1 ALA 293 HA 0.01 -0.05 0.27 -0.75 4.34 3.82 1o96Z1 ALA 293 HB3 -0.10 -0.01 0.12 -0.04 1.41 1.38 1o96Z1 SER 294 H -0.02 0.07 0.18 -0.55 8.46 8.15 1o96Z1 SER 294 HA 0.01 0.12 0.35 -0.75 4.49 4.21 1o96Z1 SER 294 HB2 -0.05 0.01 -0.03 -0.04 3.95 3.85 1o96Z1 SER 294 HB3 -0.04 0.03 0.03 -0.04 3.93 3.91 1o96Z1 ILE 295 H -0.17 0.28 -0.40 -0.55 8.25 7.42 1o96Z1 ILE 295 HA -0.11 0.06 0.45 -0.75 4.18 3.83 1o96Z1 ILE 295 HB -0.21 -0.09 -0.27 -0.04 1.89 1.28 1o96Z1 ILE 295 HG12 -0.15 -0.05 -0.08 -0.04 1.49 1.16 1o96Z1 ILE 295 HG13 -0.14 0.02 -0.07 -0.04 1.21 0.98 1o96Z1 ILE 295 HG23 -0.63 -0.01 -0.14 -0.04 0.93 0.10 1o96Z1 ILE 295 HD13 -0.05 -0.01 -0.08 -0.04 0.88 0.70 1o96Z1 PHE 296 H -0.16 0.63 -0.13 -0.55 8.34 8.14 1o96Z1 PHE 296 HA 0.00 0.03 0.55 -0.75 4.62 4.45 1o96Z1 PHE 296 HB2 -0.01 0.16 0.03 -0.04 3.15 3.29 1o96Z1 PHE 296 HB3 -0.00 0.01 0.01 -0.04 3.06 3.03 1o96Z1 PHE 296 HD2 0.01 0.18 -0.02 -0.04 7.28 7.40 1o96Z1 PHE 296 HE2 0.01 0.02 -0.14 -0.04 7.38 7.23 1o96Z1 PHE 296 HZ 0.01 0.08 -0.15 -0.04 7.32 7.21 1o96Z1 THR 297 H 0.06 0.29 -0.23 -0.55 8.28 7.85 1o96Z1 THR 297 HA 0.05 0.07 0.30 -0.75 4.39 4.05 1o96Z1 THR 297 HB 0.00 -0.02 0.13 -0.04 4.32 4.40 1o96Z1 THR 297 HG23 0.04 -0.02 0.02 -0.04 1.22 1.22 1o96Z1 ILE 298 H 0.01 0.03 -0.77 -0.55 8.25 6.97 1o96Z1 ILE 298 HA -0.02 0.27 1.07 -0.75 4.18 4.75 1o96Z1 ILE 298 HB -0.03 0.00 -0.20 -0.04 1.89 1.62 1o96Z1 ILE 298 HG12 -0.04 -0.02 -0.10 -0.04 1.49 1.29 1o96Z1 ILE 298 HG13 -0.03 0.16 0.03 -0.04 1.21 1.32 1o96Z1 ILE 298 HG23 -0.04 -0.01 0.00 -0.04 0.93 0.85 1o96Z1 ILE 298 HD13 -0.04 -0.05 -0.10 -0.04 0.88 0.65 1o96Z1 ALA 299 H 0.03 0.20 0.09 -0.55 8.40 8.17 1o96Z1 ALA 299 HA 0.02 -0.04 0.35 -0.75 4.34 3.92 1o96Z1 ALA 299 HB3 0.09 -0.01 -0.04 -0.04 1.41 1.42 1o96Z1 LYS 300 H -0.01 0.04 0.35 -0.55 8.42 8.25 1o96Z1 LYS 300 HA -0.15 0.17 0.86 -0.75 4.32 4.44 1o96Z1 LYS 300 HB2 -0.11 0.06 0.29 -0.04 1.87 2.07 1o96Z1 LYS 300 HB3 -0.19 -0.03 0.22 -0.04 1.79 1.75 1o96Z1 LYS 300 HG2 -0.94 -0.06 -0.08 -0.04 1.46 0.33 1o96Z1 LYS 300 HG3 -0.29 0.02 0.15 -0.04 1.46 1.30 1o96Z1 LYS 300 HD2 -0.10 0.14 0.15 -0.04 1.69 1.84 1o96Z1 LYS 300 HD3 -0.10 -0.05 0.09 -0.04 1.68 1.58 1o96Z1 LYS 300 HE2 -0.26 -0.06 0.02 -0.04 2.99 2.65 1o96Z1 LYS 300 HE3 -0.14 -0.00 0.05 -0.04 2.99 2.86 1o96Z1 TYR 301 H 0.10 0.44 0.26 -0.55 8.29 8.54 1o96Z1 TYR 301 HA 0.04 0.19 0.92 -0.75 4.56 4.96 1o96Z1 TYR 301 HB2 0.05 -0.06 0.14 -0.04 3.06 3.16 1o96Z1 TYR 301 HB3 0.04 0.01 -0.02 -0.04 2.98 2.97 1o96Z1 TYR 301 HD2 0.02 0.00 -0.00 -0.04 7.15 7.13 1o96Z1 TYR 301 HE2 0.01 -0.00 -0.02 -0.04 6.85 6.79 1o96Z1 GLY 302 H 0.15 0.22 0.16 -0.55 8.43 8.42 1o96Z1 GLY 302 HA2 0.37 0.16 1.01 -0.51 4.01 5.04 1o96Z1 GLY 302 HA3 0.13 0.03 0.28 -0.51 4.01 3.94 1o96Z1 ILE 303 H 0.32 0.60 0.29 -0.55 8.25 8.91 1o96Z1 ILE 303 HA 0.05 0.13 0.71 -0.75 4.18 4.32 1o96Z1 ILE 303 HB 0.10 0.01 0.16 -0.04 1.89 2.13 1o96Z1 ILE 303 HG12 0.04 0.01 -0.04 -0.04 1.49 1.46 1o96Z1 ILE 303 HG13 0.10 0.10 -0.71 -0.04 1.21 0.65 1o96Z1 ILE 303 HG23 0.05 -0.04 -0.19 -0.04 0.93 0.70 1o96Z1 ILE 303 HD13 0.05 -0.00 -0.17 -0.04 0.88 0.72 1o96Z1 VAL 304 H -0.01 0.21 0.00 -0.55 8.24 7.89 1o96Z1 VAL 304 HA 0.11 0.40 0.72 -0.75 4.13 4.62 1o96Z1 VAL 304 HB -0.03 -0.01 0.21 -0.04 2.12 2.25 1o96Z1 VAL 304 HG13 0.02 -0.01 0.01 -0.04 0.97 0.95 1o96Z1 VAL 304 HG23 -0.20 0.01 -0.03 -0.04 0.95 0.68 1o96Z1 ALA 305 H 0.08 0.39 -0.08 -0.55 8.40 8.24 1o96Z1 ALA 305 HA 0.04 0.17 0.71 -0.75 4.34 4.50 1o96Z1 ALA 305 HB3 0.04 0.02 -0.19 -0.04 1.41 1.24 1o96Z1 ASP 306 H 0.04 0.20 0.09 -0.55 8.40 8.18 1o96Z1 ASP 306 HA 0.02 0.03 0.56 -0.75 4.63 4.50 1o96Z1 ASP 306 HB2 0.08 0.12 0.13 -0.04 2.71 2.99 1o96Z1 ASP 306 HB3 0.08 0.03 0.17 -0.04 2.70 2.93 1o96Z1 ILE 307 H -0.15 0.16 0.16 -0.55 8.25 7.87 1o96Z1 ILE 307 HA -0.01 0.14 0.03 -0.75 4.18 3.57 1o96Z1 ILE 307 HB 0.04 0.08 -0.03 -0.04 1.89 1.94 1o96Z1 ILE 307 HG12 -0.61 -0.05 0.05 -0.04 1.49 0.85 1o96Z1 ILE 307 HG13 -0.94 0.04 -0.12 -0.04 1.21 0.15 1o96Z1 ILE 307 HG23 -0.09 -0.01 -0.02 -0.04 0.93 0.77 1o96Z1 ILE 307 HD13 -0.47 0.02 -0.26 -0.04 0.88 0.12 1o96Z1 PHE 308 H -0.25 0.05 -0.23 -0.55 8.34 7.36 1o96Z1 PHE 308 HA 0.01 0.13 0.37 -0.75 4.62 4.37 1o96Z1 PHE 308 HB2 0.04 -0.04 0.03 -0.04 3.15 3.14 1o96Z1 PHE 308 HB3 0.02 0.08 0.00 -0.04 3.06 3.12 1o96Z1 PHE 308 HD2 0.14 -0.00 0.01 -0.04 7.28 7.39 1o96Z1 PHE 308 HE2 0.14 0.05 0.04 -0.04 7.38 7.58 1o96Z1 PHE 308 HZ 0.07 0.09 -0.08 -0.04 7.32 7.35 1o96Z1 ASP 309 H 0.17 0.06 -0.17 -0.55 8.40 7.91 1o96Z1 ASP 309 HA 0.06 0.08 0.47 -0.75 4.63 4.49 1o96Z1 ASP 309 HB2 0.06 0.02 0.12 -0.04 2.71 2.88 1o96Z1 ASP 309 HB3 0.04 0.07 0.02 -0.04 2.70 2.78 1o96Z1 ILE 310 H 0.03 0.45 -0.16 -0.55 8.25 8.02 1o96Z1 ILE 310 HA 0.01 0.03 0.36 -0.75 4.18 3.83 1o96Z1 ILE 310 HB 0.02 0.04 -0.04 -0.04 1.89 1.88 1o96Z1 ILE 310 HG12 0.03 -0.05 -0.11 -0.04 1.49 1.32 1o96Z1 ILE 310 HG13 0.03 -0.02 -0.20 -0.04 1.21 0.98 1o96Z1 ILE 310 HG23 0.02 0.01 -0.25 -0.04 0.93 0.67 1o96Z1 ILE 310 HD13 0.02 0.01 -0.09 -0.04 0.88 0.78 1o96Z1 GLU 311 H -0.03 0.56 -0.22 -0.55 8.60 8.37 1o96Z1 GLU 311 HA -0.12 0.03 0.46 -0.75 4.29 3.91 1o96Z1 GLU 311 HB2 -0.54 -0.04 0.05 -0.04 2.09 1.52 1o96Z1 GLU 311 HB3 -0.25 0.00 0.21 -0.04 1.99 1.91 1o96Z1 GLU 311 HG2 -0.39 -0.00 -0.13 -0.04 2.34 1.78 1o96Z1 GLU 311 HG3 -1.25 -0.07 -0.15 -0.04 2.34 0.83 1o96Z1 GLU 312 H -0.04 0.62 -0.05 -0.55 8.60 8.58 1o96Z1 GLU 312 HA -0.06 0.04 0.46 -0.75 4.29 3.97 1o96Z1 GLU 312 HB2 -0.02 -0.03 0.06 -0.04 2.09 2.06 1o96Z1 GLU 312 HB3 -0.02 -0.02 0.10 -0.04 1.99 2.00 1o96Z1 GLU 312 HG2 0.02 0.00 0.17 -0.04 2.34 2.49 1o96Z1 GLU 312 HG3 -0.00 0.02 0.12 -0.04 2.34 2.44 1o96Z1 GLU 313 H -0.01 0.54 -0.02 -0.55 8.60 8.57 1o96Z1 GLU 313 HA -0.01 -0.00 0.45 -0.75 4.29 3.97 1o96Z1 GLU 313 HB2 -0.00 -0.02 0.08 -0.04 2.09 2.11 1o96Z1 GLU 313 HB3 -0.00 0.05 0.08 -0.04 1.99 2.08 1o96Z1 GLU 313 HG2 -0.00 -0.02 -0.06 -0.04 2.34 2.22 1o96Z1 GLU 313 HG3 -0.01 0.03 -0.19 -0.04 2.34 2.13 1o96Z1 LEU 314 H -0.02 0.55 -0.17 -0.55 8.37 8.18 1o96Z1 LEU 314 HA -0.01 -0.00 0.39 -0.75 4.35 3.97 1o96Z1 LEU 314 HB2 -0.02 0.29 0.17 -0.04 1.64 2.04 1o96Z1 LEU 314 HB3 -0.02 0.03 -0.05 -0.04 1.64 1.56 1o96Z1 LEU 314 HG 0.02 0.02 -0.08 -0.04 1.64 1.56 1o96Z1 LEU 314 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.84 1o96Z1 LEU 314 HD23 0.02 -0.02 -0.11 -0.04 0.89 0.74 1o96Z1 LYS 315 H -0.04 0.49 -0.17 -0.55 8.42 8.14 1o96Z1 LYS 315 HA -0.02 0.02 0.38 -0.75 4.32 3.94 1o96Z1 ALA 316 H -0.02 0.52 0.02 -0.55 8.40 8.37 1o96Z1 ALA 316 HA -0.01 -0.04 0.44 -0.75 4.34 3.97 1o96Z1 ALA 316 HB3 -0.01 0.01 0.13 -0.04 1.41 1.50 1o96Z1 GLN 317 H -0.01 0.63 0.02 -0.55 8.47 8.56 1o96Z1 GLN 317 HA -0.01 -0.07 0.23 -0.75 4.36 3.76 1o96Z1 GLN 317 HB2 -0.01 0.05 0.06 -0.04 2.15 2.21 1o96Z1 GLN 317 HB3 -0.01 -0.05 0.06 -0.04 2.02 1.98 1o96Z1 GLN 317 HG2 -0.01 -0.05 0.03 -0.04 2.40 2.33 1o96Z1 GLN 317 HG3 -0.01 0.06 0.05 -0.04 2.39 2.45 1o96Z1 GLN 317 HE21 -0.01 -0.04 -0.05 -0.04 6.97 6.83 1o96Z1 GLN 317 HE22 -0.01 -0.03 -0.05 -0.04 7.69 7.57 1o96Z1 LEU 318 H -0.01 0.48 -0.69 -0.55 8.37 7.61 1o96Z1 LEU 318 HA 0.00 0.02 0.34 -0.75 4.35 3.96 1o96Z1 LEU 318 HB2 0.00 0.14 0.12 -0.04 1.64 1.87 1o96Z1 LEU 318 HB3 0.01 -0.04 0.03 -0.04 1.64 1.60 1o96Z1 LEU 318 HG 0.01 0.16 -0.06 -0.04 1.64 1.71 1o96Z1 LEU 318 HD13 0.04 -0.02 -0.12 -0.04 0.93 0.78 1o96Z1 LEU 318 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.77