============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 24 1.040 -2.730 6.439 21.984 -99.200 -91.000 TRP6 24 1.020 -0.737 5.190 22.277 -99.200 -91.000 PHE 31 1.000 -7.203 6.060 14.805 -99.200 -91.000 TYR 33 0.840 2.552 10.041 9.802 -99.200 -91.000 PHE 34 1.000 -2.856 3.071 10.001 -99.200 -91.000 TRP 57 1.040 -10.228 -8.386 10.380 -99.200 -91.000 TRP6 57 1.020 -10.171 -7.139 8.353 -99.200 -91.000 PHE 58 1.000 -12.027 -10.917 13.562 -99.200 -91.000 HIS 87 0.900 -9.010 -6.407 0.074 -99.200 -91.000 PHE 88 1.000 -5.108 -11.728 -1.621 -99.200 -91.000 TRP 113 1.040 2.460 1.256 4.136 -99.200 -91.000 TRP6 113 1.020 3.718 2.834 5.364 -99.200 -91.000 TYR 121 0.840 3.725 -3.008 15.186 -99.200 -91.000 HIS 130 0.900 14.780 -0.639 2.455 -99.200 -91.000 PHE 134 1.000 7.414 5.312 7.147 -99.200 -91.000 PHE 142 1.000 -1.181 8.297 27.237 -99.200 -91.000 PHE 147 1.000 5.305 -2.318 28.068 -99.200 -91.000 PHE 148 1.000 7.809 -0.957 17.588 -99.200 -91.000 TYR 156 0.840 15.335 -1.124 13.036 -99.200 -91.000 TYR 162 0.840 10.324 8.195 4.081 -99.200 -91.000 TYR 177 0.840 0.343 13.706 17.496 -99.200 -91.000 PHE 179 1.000 3.106 12.576 12.612 -99.200 -91.000 TYR 182 0.840 13.756 5.417 14.691 -99.200 -91.000