============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 53.233 15.930 17.882 -99.200 -91.000 TYR 15 0.840 58.818 35.161 18.919 -99.200 -91.000 TRP 19 1.040 64.160 36.880 18.527 -99.200 -91.000 TRP6 19 1.020 65.503 38.712 19.170 -99.200 -91.000 PHE 22 1.000 68.088 31.627 16.543 -99.200 -91.000 PHE 28 1.000 75.591 35.691 12.922 -99.200 -91.000 TYR 29 0.840 72.347 32.454 10.610 -99.200 -91.000 PHE 30 1.000 62.774 37.551 10.346 -99.200 -91.000 TRP 43 1.040 55.208 18.996 32.084 -99.200 -91.000 TRP6 43 1.020 56.931 20.603 31.820 -99.200 -91.000 TYR 46 0.840 62.418 17.578 32.020 -99.200 -91.000 TRP 48 1.040 58.183 9.460 38.476 -99.200 -91.000 TRP6 48 1.020 59.977 7.987 38.183 -99.200 -91.000 PHE 67 1.000 69.372 27.500 21.618 -99.200 -91.000 HIS 68 0.900 69.369 17.413 18.934 -99.200 -91.000 PHE 74 1.000 65.698 12.965 11.441 -99.200 -91.000 PHE 83 1.000 65.467 16.599 21.343 -99.200 -91.000 TRP 85 1.040 71.551 7.506 21.560 -99.200 -91.000 TRP6 85 1.020 72.970 5.746 20.900 -99.200 -91.000 TYR 93 0.840 83.583 15.796 24.001 -99.200 -91.000 TYR 98 0.840 76.993 14.224 21.260 -99.200 -91.000 PHE 99 1.000 69.765 17.538 24.039 -99.200 -91.000 TYR 105 0.840 79.259 22.720 18.640 -99.200 -91.000 HIS 107 0.900 73.174 27.577 10.793 -99.200 -91.000 HIS 108 0.900 78.136 20.764 10.909 -99.200 -91.000 TYR 109 0.840 76.099 19.127 14.932 -99.200 -91.000 HIS 117 0.900 69.519 26.250 7.912 -99.200 -91.000 PHE 119 1.000 62.633 19.856 18.263 -99.200 -91.000 PHE 128 1.000 78.229 19.633 34.316 -99.200 -91.000 PHE 135 1.000 82.778 7.572 29.480 -99.200 -91.000 TRP 144 1.040 79.960 9.074 45.582 -99.200 -91.000 TRP6 144 1.020 78.171 10.573 46.013 -99.200 -91.000 PHE 146 1.000 76.698 4.088 37.861 -99.200 -91.000 TYR 147 0.840 80.445 12.168 37.819 -99.200 -91.000 PHE 160 1.000 75.655 20.979 29.058 -99.200 -91.000 PHE 163 1.000 75.809 8.942 27.745 -99.200 -91.000 HIS 166 0.900 61.872 7.997 31.040 -99.200 -91.000 TYR 169 0.840 58.396 19.017 27.266 -99.200 -91.000 TYR 172 0.840 59.442 27.320 24.323 -99.200 -91.000 TYR 176 0.840 67.953 28.894 12.306 -99.200 -91.000