============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 7 1.000 6.346 23.435 55.820 -99.200 -91.000 PHE 24 1.000 11.360 35.529 57.196 -99.200 -91.000 TRP 40 1.040 12.094 29.472 50.366 -99.200 -91.000 TRP6 40 1.020 11.522 29.529 52.636 -99.200 -91.000 PHE 41 1.000 5.422 30.182 45.034 -99.200 -91.000 TRP 45 1.040 -0.799 34.313 41.340 -99.200 -91.000 TRP6 45 1.020 -1.381 32.063 41.145 -99.200 -91.000 HIS 55 0.900 17.965 44.573 47.856 -99.200 -91.000 HIS 59 0.900 23.213 26.681 51.628 -99.200 -91.000 TYR 62 0.840 20.191 14.477 54.868 -99.200 -91.000 TYR 69 0.840 16.652 16.136 52.817 -99.200 -91.000 PHE 71 1.000 14.000 22.129 52.046 -99.200 -91.000 HIS 74 0.900 20.247 32.756 54.420 -99.200 -91.000 PHE 82 1.000 13.394 43.891 49.848 -99.200 -91.000 TYR 86 0.840 7.993 37.630 51.889 -99.200 -91.000 PHE 96 1.000 2.185 21.858 47.522 -99.200 -91.000 PHE 101 1.000 7.735 33.174 55.378 -99.200 -91.000 HIS 106 0.900 8.906 46.985 62.488 -99.200 -91.000