============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 7 1.000 14.671 21.631 53.961 -99.200 -91.000 PHE 12 1.000 9.773 6.733 55.047 -99.200 -91.000 HIS 18 0.900 -0.251 7.163 46.171 -99.200 -91.000 TYR 26 0.840 18.370 12.509 31.852 -99.200 -91.000 TYR 45 0.840 5.711 1.383 31.647 -99.200 -91.000 PHE 46 1.000 3.927 9.260 30.072 -99.200 -91.000 TYR 54 0.840 9.233 17.460 19.132 -99.200 -91.000 PHE 63 1.000 10.701 2.290 31.094 -99.200 -91.000 TRP 67 1.040 15.811 0.329 32.611 -99.200 -91.000 TRP6 67 1.020 15.492 2.531 33.456 -99.200 -91.000 TYR 80 0.840 7.433 5.907 50.489 -99.200 -91.000 PHE 90 1.000 5.895 14.610 53.503 -99.200 -91.000 PHE 95 1.000 17.001 9.837 45.132 -99.200 -91.000 HIS 98 0.900 24.929 5.411 41.731 -99.200 -91.000 PHE 109 1.000 7.926 26.026 51.600 -99.200 -91.000 PHE 118 1.000 9.531 24.010 55.954 -99.200 -91.000 TRP 123 1.040 9.578 14.602 59.574 -99.200 -91.000 TRP6 123 1.020 9.682 14.314 57.218 -99.200 -91.000 PHE 124 1.000 11.485 18.534 56.061 -99.200 -91.000 TYR 134 0.840 22.699 16.380 47.794 -99.200 -91.000