============================================================================= 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. TYR 4 0.840 35.239 14.824 -4.776 -99.200 -91.000 TYR 8 0.840 39.131 15.057 -0.103 -99.200 -91.000 HIS 9 0.900 36.565 13.902 4.134 -99.200 -91.000 TYR 18 0.840 53.353 8.626 -0.224 -99.200 -91.000 PHE 33 1.000 52.026 2.861 -2.007 -99.200 -91.000 PHE 40 1.000 58.195 2.547 -13.552 -99.200 -91.000 PHE 57 1.000 56.102 -0.321 0.072 -99.200 -91.000 PHE 64 1.000 63.132 9.378 1.768 -99.200 -91.000 HIS 65 0.900 68.777 9.589 7.879 -99.200 -91.000 PHE 96 1.000 65.962 13.528 -1.269 -99.200 -91.000 PHE 98 1.000 60.916 13.280 -2.845 -99.200 -91.000 PHE 101 1.000 51.391 14.959 -10.669 -99.200 -91.000 PHE 102 1.000 50.593 9.130 -4.320 -99.200 -91.000 TRP 111 1.040 38.534 4.836 -2.989 -99.200 -91.000 TRP6 111 1.020 38.532 5.237 -5.325 -99.200 -91.000 TYR 118 0.840 60.314 9.749 -7.727 -99.200 -91.000 HIS 119 0.900 60.610 17.569 -10.803 -99.200 -91.000 HIS 121 0.900 59.290 20.513 -6.698 -99.200 -91.000