============================================================================= 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 5 1.000 34.640 25.949 -4.654 -99.200 -91.000 PHE 20 1.000 42.335 25.812 5.604 -99.200 -91.000 HIS 21 0.900 44.662 18.651 9.676 -99.200 -91.000 TYR 34 0.840 32.865 8.291 -2.381 -99.200 -91.000 PHE 42 1.000 28.405 13.471 -5.183 -99.200 -91.000 TYR 46 0.840 30.453 17.361 -2.265 -99.200 -91.000 PHE 49 1.000 35.469 19.835 -0.434 -99.200 -91.000 TYR 53 0.840 41.168 22.176 -1.556 -99.200 -91.000 PHE 58 1.000 37.939 25.104 7.445 -99.200 -91.000 PHE 63 1.000 32.923 22.835 5.077 -99.200 -91.000 TYR 64 0.840 30.817 14.961 7.391 -99.200 -91.000 PHE 81 1.000 30.209 5.479 8.204 -99.200 -91.000 PHE 89 1.000 20.843 4.653 12.412 -99.200 -91.000 TYR 102 0.840 22.055 15.506 19.891 -99.200 -91.000 PHE 106 1.000 25.167 23.303 9.017 -99.200 -91.000 PHE 128 1.000 14.614 15.937 6.896 -99.200 -91.000 PHE 141 1.000 30.968 21.869 -0.858 -99.200 -91.000 PHE 144 1.000 27.833 25.461 4.762 -99.200 -91.000