============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 12 1.000 18.034 -21.918 -20.531 -99.200 -91.000 TRP 14 1.040 14.028 -17.256 -22.546 -99.200 -91.000 TRP6 14 1.020 15.031 -18.114 -24.518 -99.200 -91.000 PHE 25 1.000 11.249 -10.274 -5.530 -99.200 -91.000 TRP 35 1.040 5.414 -3.429 -21.476 -99.200 -91.000 TRP6 35 1.020 3.999 -3.108 -19.605 -99.200 -91.000 HIS 41 0.900 4.319 -16.554 -6.175 -99.200 -91.000 HIS 55 0.900 26.238 -17.823 -16.429 -99.200 -91.000 HIS 62 0.900 32.498 -6.148 -17.200 -99.200 -91.000 HIS 75 0.900 -5.917 -12.117 -15.052 -99.200 -91.000 HIS 76 0.900 -8.642 -9.005 -15.339 -99.200 -91.000 PHE 78 1.000 -2.020 -13.254 -7.332 -99.200 -91.000 TYR 85 0.840 -1.219 -20.858 -3.611 -99.200 -91.000 HIS 87 0.900 -7.532 -15.911 -12.817 -99.200 -91.000 TYR 103 0.840 26.059 -12.364 -23.595 -99.200 -91.000 TYR 114 0.840 -0.001 -23.174 -34.108 -99.200 -91.000 PHE 118 1.000 4.283 -23.719 -30.501 -99.200 -91.000 PHE 121 1.000 5.236 -29.284 -30.094 -99.200 -91.000 TYR 125 0.840 15.139 -27.723 -21.605 -99.200 -91.000 TRP 129 1.040 20.404 -16.707 -11.068 -99.200 -91.000 TRP6 129 1.020 19.343 -15.647 -12.891 -99.200 -91.000 PHE 133 1.000 21.153 -29.275 -2.518 -99.200 -91.000 HIS 134 0.900 11.631 -29.061 1.251 -99.200 -91.000 TYR 144 0.840 19.906 -26.302 -18.601 -99.200 -91.000 PHE 161 1.000 -2.829 -26.959 -0.595 -99.200 -91.000 PHE 168 1.000 2.105 -26.005 -17.485 -99.200 -91.000 PHE 172 1.000 11.839 -35.487 -14.666 -99.200 -91.000 HIS 173 0.900 7.996 -41.893 -13.042 -99.200 -91.000 HIS 188 0.900 6.697 -25.464 -19.125 -99.200 -91.000 PHE 197 1.000 7.116 -20.048 -30.485 -99.200 -91.000 TRP 204 1.040 0.130 -23.433 -7.103 -99.200 -91.000 TRP6 204 1.020 -0.619 -25.355 -5.942 -99.200 -91.000 TYR 214 0.840 3.671 -35.055 -10.731 -99.200 -91.000 TYR 217 0.840 5.839 -25.400 -13.792 -99.200 -91.000 TYR 223 0.840 -3.806 -16.214 -17.196 -99.200 -91.000 TRP 226 1.040 -3.935 -9.313 -18.641 -99.200 -91.000 TRP6 226 1.020 -1.943 -9.945 -17.533 -99.200 -91.000