============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 4.060 5.448 48.148 -99.200 -91.000 PHE 29 1.000 14.590 2.255 56.218 -99.200 -91.000 HIS 35 0.900 -3.015 12.045 51.096 -99.200 -91.000 HIS 46 0.900 -2.003 8.087 48.462 -99.200 -91.000 TRP 48 1.040 6.484 2.551 52.321 -99.200 -91.000 TRP6 48 1.020 7.680 0.852 53.487 -99.200 -91.000 TYR 72 0.840 -9.355 -0.119 49.639 -99.200 -91.000 PHE 97 1.000 11.413 -2.637 57.356 -99.200 -91.000 TYR 108 0.840 13.129 -7.784 50.647 -99.200 -91.000 PHE 110 1.000 9.015 2.447 47.961 -99.200 -91.000 PHE 111 1.000 3.075 -3.635 47.628 -99.200 -91.000 PHE 114 1.000 -8.106 4.327 47.531 -99.200 -91.000 HIS 117 0.900 -4.366 5.375 45.187 -99.200 -91.000 HIS 126 0.900 19.205 -2.642 46.638 -99.200 -91.000