============================================================================= 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. HIS 2 0.900 -7.982 -9.589 57.781 -99.200 -91.000 PHE 8 1.000 2.671 -1.338 47.562 -99.200 -91.000 HIS 32 0.900 3.928 -4.248 59.776 -99.200 -91.000 HIS 45 0.900 -2.124 21.825 46.355 -99.200 -91.000 PHE 92 1.000 6.364 -18.390 37.335 -99.200 -91.000 PHE 103 1.000 10.040 -11.252 48.992 -99.200 -91.000 HIS 116 0.900 -2.361 1.076 37.824 -99.200 -91.000 TYR 121 0.840 -0.525 -8.507 31.483 -99.200 -91.000 PHE 123 1.000 -3.524 -9.304 41.582 -99.200 -91.000 PHE 143 1.000 -6.966 -12.675 52.437 -99.200 -91.000 TYR 160 0.840 -8.977 6.475 36.817 -99.200 -91.000 TYR 166 0.840 5.428 9.070 39.408 -99.200 -91.000 TYR 170 0.840 3.637 11.645 43.593 -99.200 -91.000 TRP 171 1.040 1.294 18.659 39.026 -99.200 -91.000 TRP6 171 1.020 1.149 21.018 39.088 -99.200 -91.000 HIS 178 0.900 5.445 0.280 29.778 -99.200 -91.000 TRP 193 1.040 -2.310 11.706 46.735 -99.200 -91.000 TRP6 193 1.020 -4.550 11.231 46.140 -99.200 -91.000 TRP 201 1.040 -11.200 0.364 48.158 -99.200 -91.000 TRP6 201 1.020 -10.061 -1.174 46.775 -99.200 -91.000 HIS 205 0.900 -13.804 -2.469 48.689 -99.200 -91.000 PHE 209 1.000 -2.828 -14.958 42.927 -99.200 -91.000 TYR 216 0.840 -2.008 -18.515 28.699 -99.200 -91.000