============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 -2.361 101.768 68.556 -99.200 -91.000 TRP6 14 1.020 -0.606 102.839 67.377 -99.200 -91.000 PHE 19 1.000 -7.119 85.304 78.633 -99.200 -91.000 TRP 37 1.040 -2.949 106.627 83.715 -99.200 -91.000 TRP6 37 1.020 -4.892 106.378 85.042 -99.200 -91.000 HIS 43 0.900 -19.748 97.547 75.745 -99.200 -91.000 TYR 47 0.840 -25.987 96.147 79.989 -99.200 -91.000 TRP 49 1.040 -27.376 91.575 79.957 -99.200 -91.000 TRP6 49 1.020 -26.044 91.845 78.021 -99.200 -91.000 PHE 53 1.000 -16.095 90.620 83.877 -99.200 -91.000 HIS 65 0.900 0.069 88.681 64.599 -99.200 -91.000 TYR 70 0.840 2.383 83.746 78.346 -99.200 -91.000 TYR 84 0.840 -9.241 105.564 88.532 -99.200 -91.000 HIS 86 0.900 -17.879 110.049 82.012 -99.200 -91.000 TYR 89 0.840 -21.675 102.406 81.141 -99.200 -91.000 TRP 91 1.040 -25.770 101.588 84.277 -99.200 -91.000 TRP6 91 1.020 -27.767 100.565 85.045 -99.200 -91.000 PHE 110 1.000 6.122 103.171 76.226 -99.200 -91.000 TYR 113 0.840 7.273 92.507 69.045 -99.200 -91.000 HIS 115 0.900 5.693 104.161 71.239 -99.200 -91.000 TYR 132 0.840 -11.156 113.693 55.994 -99.200 -91.000 TRP 139 1.040 -6.559 89.471 69.173 -99.200 -91.000 TRP6 139 1.020 -5.851 91.285 70.520 -99.200 -91.000 TRP 146 1.040 -24.888 87.114 68.094 -99.200 -91.000 TRP6 146 1.020 -27.012 88.059 67.666 -99.200 -91.000 PHE 184 1.000 -16.093 108.109 65.865 -99.200 -91.000 TYR 188 0.840 -15.807 100.840 53.258 -99.200 -91.000 PHE 207 1.000 -12.654 105.105 63.346 -99.200 -91.000 PHE 213 1.000 -2.969 118.141 58.757 -99.200 -91.000 TRP 217 1.040 -0.566 105.184 62.937 -99.200 -91.000 TRP6 217 1.020 -2.240 104.342 61.496 -99.200 -91.000 TYR 218 0.840 -2.913 112.581 66.792 -99.200 -91.000 TRP 225 1.040 -23.804 102.348 70.589 -99.200 -91.000 TRP6 225 1.020 -25.640 102.428 69.090 -99.200 -91.000 TYR 235 0.840 -24.026 103.307 58.093 -99.200 -91.000 PHE 237 1.000 -24.252 104.466 65.705 -99.200 -91.000 TYR 238 0.840 -16.335 102.629 65.710 -99.200 -91.000 HIS 240 0.900 -16.119 112.913 69.129 -99.200 -91.000 PHE 242 1.000 -11.143 117.544 71.418 -99.200 -91.000 TRP 247 1.040 -14.107 110.823 83.395 -99.200 -91.000 TRP6 247 1.020 -13.365 108.772 82.469 -99.200 -91.000 PHE 255 1.000 -8.597 109.257 91.087 -99.200 -91.000