============================================================================= 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 8.648 6.323 18.350 -99.200 -91.000 TRP6 14 1.020 7.424 8.259 19.021 -99.200 -91.000 PHE 19 1.000 13.009 -5.765 3.379 -99.200 -91.000 TRP 37 1.040 23.181 10.282 14.086 -99.200 -91.000 TRP6 37 1.020 25.001 8.761 13.935 -99.200 -91.000 HIS 43 0.900 19.657 -9.511 19.034 -99.200 -91.000 TYR 47 0.840 24.053 -14.384 18.794 -99.200 -91.000 TRP 49 1.040 21.945 -17.799 16.461 -99.200 -91.000 TRP6 49 1.020 20.096 -16.420 16.860 -99.200 -91.000 PHE 53 1.000 22.699 -9.575 8.417 -99.200 -91.000 HIS 65 0.900 -0.556 0.446 10.345 -99.200 -91.000 TYR 70 0.840 7.123 1.448 -2.279 -99.200 -91.000 TYR 84 0.840 29.532 5.012 13.682 -99.200 -91.000 HIS 86 0.900 29.313 -0.132 24.348 -99.200 -91.000 TYR 89 0.840 26.702 -7.356 20.812 -99.200 -91.000 TRP 91 1.040 30.343 -11.164 20.088 -99.200 -91.000 TRP6 91 1.020 31.281 -13.345 19.857 -99.200 -91.000 PHE 110 1.000 12.556 14.344 11.469 -99.200 -91.000 TYR 113 0.840 1.342 9.163 7.397 -99.200 -91.000 HIS 115 0.900 8.047 14.425 15.186 -99.200 -91.000 TYR 132 0.840 6.096 4.658 37.847 -99.200 -91.000 TRP 139 1.040 5.724 -4.101 11.092 -99.200 -91.000 TRP6 139 1.020 7.187 -2.254 11.214 -99.200 -91.000 PHE 176 1.000 14.161 -1.407 30.641 -99.200 -91.000 TYR 180 0.840 0.761 -6.992 32.158 -99.200 -91.000 PHE 199 1.000 9.518 -0.484 28.261 -99.200 -91.000 PHE 205 1.000 7.236 14.342 35.850 -99.200 -91.000 TRP 209 1.040 4.593 9.315 23.142 -99.200 -91.000 TRP6 209 1.020 3.790 7.351 24.148 -99.200 -91.000 TYR 210 0.840 11.594 12.172 27.472 -99.200 -91.000 TRP 217 1.040 18.653 -10.591 27.171 -99.200 -91.000 TRP6 217 1.020 18.216 -12.228 28.835 -99.200 -91.000 TYR 227 0.840 8.872 -11.612 34.647 -99.200 -91.000 PHE 229 1.000 15.771 -10.253 31.486 -99.200 -91.000 TYR 230 0.840 12.036 -4.696 26.791 -99.200 -91.000 HIS 232 0.900 18.859 1.766 32.251 -99.200 -91.000 PHE 234 1.000 20.500 8.538 31.980 -99.200 -91.000 TRP 239 1.040 29.148 3.799 22.300 -99.200 -91.000 TRP6 239 1.020 27.461 3.071 20.819 -99.200 -91.000 PHE 247 1.000 32.358 8.378 14.676 -99.200 -91.000