============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 5 1.000 4.077 57.959 39.996 -99.200 -91.000 TRP 6 1.040 7.611 55.499 43.031 -99.200 -91.000 TRP6 6 1.020 8.716 56.045 41.022 -99.200 -91.000 HIS 15 0.900 11.207 39.676 46.256 -99.200 -91.000 TYR 20 0.840 3.743 45.516 47.633 -99.200 -91.000 TYR 21 0.840 9.630 40.186 42.505 -99.200 -91.000 HIS 29 0.900 29.499 35.530 29.614 -99.200 -91.000 HIS 40 0.900 20.332 34.211 33.397 -99.200 -91.000 TYR 42 0.840 23.574 42.098 34.010 -99.200 -91.000 TYR 46 0.840 12.760 49.288 38.061 -99.200 -91.000 PHE 47 1.000 12.429 45.127 48.192 -99.200 -91.000 HIS 56 0.900 8.692 38.963 56.542 -99.200 -91.000 HIS 58 0.900 16.369 37.912 51.734 -99.200 -91.000 TRP 66 1.040 20.311 45.731 48.588 -99.200 -91.000 TRP6 66 1.020 17.999 45.445 48.923 -99.200 -91.000 TYR 68 0.840 16.821 57.231 47.763 -99.200 -91.000 HIS 69 0.900 16.476 53.532 41.364 -99.200 -91.000 HIS 77 0.900 16.489 45.720 59.831 -99.200 -91.000 TYR 92 0.840 26.040 33.977 59.087 -99.200 -91.000 TYR 95 0.840 21.605 44.445 63.085 -99.200 -91.000 TYR 112 0.840 25.857 47.845 52.627 -99.200 -91.000 PHE 120 1.000 20.371 40.293 52.054 -99.200 -91.000 TYR 135 0.840 7.612 55.413 47.852 -99.200 -91.000 PHE 146 1.000 16.696 35.474 43.461 -99.200 -91.000 TYR 148 0.840 12.539 32.860 42.900 -99.200 -91.000 PHE 151 1.000 14.495 33.780 49.074 -99.200 -91.000 PHE 154 1.000 18.174 31.758 57.072 -99.200 -91.000 TYR 163 0.840 24.120 31.746 62.865 -99.200 -91.000 HIS 166 0.900 23.619 38.855 65.653 -99.200 -91.000 TYR 175 0.840 7.978 35.305 56.387 -99.200 -91.000