============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 8 0.900 47.573 -1.829 23.086 -99.200 -91.000 HIS 17 0.900 54.523 5.666 9.096 -99.200 -91.000 HIS 18 0.900 53.169 9.124 14.477 -99.200 -91.000 TYR 21 0.840 57.808 8.259 5.887 -99.200 -91.000 TYR 25 0.840 60.792 12.448 3.525 -99.200 -91.000 PHE 28 1.000 65.392 10.138 2.043 -99.200 -91.000 PHE 31 1.000 69.541 7.383 2.120 -99.200 -91.000 HIS 45 0.900 69.972 9.458 -3.230 -99.200 -91.000 TYR 52 0.840 66.610 5.689 6.162 -99.200 -91.000 PHE 60 1.000 54.479 -0.352 10.491 -99.200 -91.000 PHE 67 1.000 56.885 -9.502 12.300 -99.200 -91.000 PHE 95 1.000 53.121 9.774 -6.704 -99.200 -91.000 TRP 102 1.040 57.649 8.040 -4.738 -99.200 -91.000 TRP6 102 1.020 57.861 7.231 -6.964 -99.200 -91.000 TYR 109 0.840 68.615 14.362 -0.475 -99.200 -91.000 TYR 111 0.840 64.501 10.462 -4.595 -99.200 -91.000 HIS 121 0.900 64.120 -1.550 -10.821 -99.200 -91.000 PHE 132 1.000 50.374 0.836 -4.842 -99.200 -91.000 HIS 142 0.900 40.590 9.238 8.314 -99.200 -91.000 HIS 146 0.900 50.730 5.198 5.005 -99.200 -91.000 TYR 182 0.840 40.257 4.870 11.673 -99.200 -91.000 HIS 187 0.900 37.968 7.586 5.539 -99.200 -91.000 HIS 193 0.900 30.910 3.662 -2.650 -99.200 -91.000 TYR 196 0.840 38.715 -4.664 4.347 -99.200 -91.000 HIS 213 0.900 62.257 -4.799 -6.694 -99.200 -91.000 TYR 217 0.840 67.865 -7.601 -6.608 -99.200 -91.000 PHE 222 1.000 73.472 -13.455 -15.062 -99.200 -91.000 PHE 238 1.000 64.625 -5.926 -2.443 -99.200 -91.000