============================================================================= 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 8.370 7.365 18.277 -99.200 -91.000 TRP6 14 1.020 7.132 9.231 19.003 -99.200 -91.000 PHE 19 1.000 12.781 -4.146 2.906 -99.200 -91.000 TRP 37 1.040 22.892 11.420 13.955 -99.200 -91.000 TRP6 37 1.020 24.749 9.964 13.892 -99.200 -91.000 HIS 43 0.900 19.164 -7.865 19.068 -99.200 -91.000 TYR 47 0.840 23.743 -13.047 18.577 -99.200 -91.000 TRP 49 1.040 21.936 -17.001 16.235 -99.200 -91.000 TRP6 49 1.020 19.964 -15.887 16.885 -99.200 -91.000 PHE 53 1.000 22.210 -7.969 8.069 -99.200 -91.000 HIS 65 0.900 -0.744 1.554 10.147 -99.200 -91.000 TYR 70 0.840 7.274 2.679 -2.081 -99.200 -91.000 TYR 84 0.840 29.121 6.431 13.765 -99.200 -91.000 HIS 86 0.900 28.220 1.362 24.327 -99.200 -91.000 TYR 89 0.840 26.397 -6.261 20.643 -99.200 -91.000 TRP 91 1.040 29.965 -10.030 19.900 -99.200 -91.000 TRP6 91 1.020 30.977 -12.133 19.591 -99.200 -91.000 PHE 110 1.000 12.110 15.708 11.547 -99.200 -91.000 TYR 113 0.840 1.172 10.385 7.288 -99.200 -91.000 HIS 115 0.900 7.910 15.566 15.142 -99.200 -91.000 TYR 132 0.840 5.838 5.538 37.586 -99.200 -91.000 TRP 139 1.040 5.694 -2.839 10.849 -99.200 -91.000 TRP6 139 1.020 7.259 -1.080 11.018 -99.200 -91.000 PHE 176 1.000 13.640 -0.521 30.334 -99.200 -91.000 TYR 180 0.840 0.298 -5.965 31.882 -99.200 -91.000 PHE 199 1.000 9.244 0.334 28.069 -99.200 -91.000 PHE 205 1.000 7.195 14.770 35.724 -99.200 -91.000 TRP 209 1.040 4.274 10.229 23.007 -99.200 -91.000 TRP6 209 1.020 3.551 8.207 23.969 -99.200 -91.000 TYR 210 0.840 11.435 12.824 27.271 -99.200 -91.000 TRP 217 1.040 18.302 -9.859 26.755 -99.200 -91.000 TRP6 217 1.020 17.783 -11.493 28.374 -99.200 -91.000 TYR 227 0.840 8.412 -10.659 34.292 -99.200 -91.000 PHE 229 1.000 15.400 -9.530 30.959 -99.200 -91.000 TYR 230 0.840 11.539 -3.952 26.543 -99.200 -91.000 HIS 232 0.900 18.456 2.617 32.225 -99.200 -91.000 PHE 234 1.000 20.429 9.244 32.093 -99.200 -91.000 TRP 239 1.040 28.768 4.811 22.004 -99.200 -91.000 TRP6 239 1.020 26.952 4.115 20.677 -99.200 -91.000 PHE 247 1.000 32.618 9.345 14.823 -99.200 -91.000