============================================================================= 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. TRP 14 1.040 8.162 6.131 18.552 -99.200 -91.000 TRP6 14 1.020 6.889 7.954 19.284 -99.200 -91.000 PHE 19 1.000 12.592 -5.275 3.155 -99.200 -91.000 TRP 37 1.040 22.899 10.250 14.222 -99.200 -91.000 TRP6 37 1.020 24.726 8.798 14.137 -99.200 -91.000 HIS 43 0.900 19.284 -9.188 19.543 -99.200 -91.000 TYR 47 0.840 23.714 -14.432 18.838 -99.200 -91.000 TRP 49 1.040 22.098 -18.275 16.195 -99.200 -91.000 TRP6 49 1.020 20.225 -16.944 16.684 -99.200 -91.000 PHE 53 1.000 22.323 -9.213 8.481 -99.200 -91.000 HIS 65 0.900 -1.138 0.567 10.227 -99.200 -91.000 TYR 70 0.840 7.475 1.682 -1.911 -99.200 -91.000 TYR 84 0.840 28.911 5.046 13.979 -99.200 -91.000 HIS 86 0.900 28.836 -0.116 24.595 -99.200 -91.000 TYR 89 0.840 26.270 -7.482 20.901 -99.200 -91.000 TRP 91 1.040 29.782 -11.195 20.378 -99.200 -91.000 TRP6 91 1.020 30.770 -13.306 20.072 -99.200 -91.000 PHE 110 1.000 11.998 14.671 11.803 -99.200 -91.000 TYR 113 0.840 1.126 9.359 7.568 -99.200 -91.000 HIS 115 0.900 7.651 14.575 15.464 -99.200 -91.000 TYR 132 0.840 5.301 4.374 37.888 -99.200 -91.000 TRP 139 1.040 5.220 -3.856 11.156 -99.200 -91.000 TRP6 139 1.020 6.790 -2.105 11.225 -99.200 -91.000 PHE 177 1.000 13.418 -1.541 30.725 -99.200 -91.000 TYR 181 0.840 0.113 -7.253 32.181 -99.200 -91.000 PHE 200 1.000 8.929 -0.714 28.271 -99.200 -91.000 PHE 206 1.000 6.551 14.026 35.939 -99.200 -91.000 TRP 210 1.040 3.937 9.193 23.364 -99.200 -91.000 TRP6 210 1.020 3.137 7.242 24.364 -99.200 -91.000 TYR 211 0.840 10.926 11.982 27.713 -99.200 -91.000 TRP 218 1.040 18.184 -10.787 27.140 -99.200 -91.000 TRP6 218 1.020 17.541 -12.271 28.850 -99.200 -91.000 TYR 228 0.840 8.327 -11.879 34.508 -99.200 -91.000 PHE 230 1.000 15.107 -10.414 31.435 -99.200 -91.000 TYR 231 0.840 11.450 -4.930 26.902 -99.200 -91.000 HIS 233 0.900 18.089 1.551 32.516 -99.200 -91.000 PHE 235 1.000 19.965 8.396 32.345 -99.200 -91.000 TRP 240 1.040 28.593 3.843 22.594 -99.200 -91.000 TRP6 240 1.020 26.965 3.091 21.090 -99.200 -91.000 PHE 248 1.000 32.440 8.326 15.066 -99.200 -91.000