============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 10.847 -85.906 39.957 -99.200 -91.000 PHE 14 1.000 15.089 -78.907 35.884 -99.200 -91.000 TYR 18 0.840 15.517 -78.459 29.984 -99.200 -91.000 HIS 65 0.900 -0.741-106.148 13.818 -99.200 -91.000 HIS 83 0.900 11.476-102.598 22.704 -99.200 -91.000 HIS 91 0.900 1.731-111.208 21.802 -99.200 -91.000 TYR 94 0.840 8.841-115.649 22.942 -99.200 -91.000 TYR 95 0.840 2.158-114.929 24.631 -99.200 -91.000 PHE 115 1.000 15.471 -90.326 31.011 -99.200 -91.000 PHE 130 1.000 14.408 -93.614 22.913 -99.200 -91.000 HIS 139 0.900 -8.349-104.304 12.813 -99.200 -91.000 TYR 145 0.840 -9.631 -99.968 11.087 -99.200 -91.000 PHE 148 1.000 -3.055 -96.807 21.466 -99.200 -91.000 HIS 149 0.900 1.541 -87.520 21.318 -99.200 -91.000 PHE 156 1.000 0.062 -96.222 26.122 -99.200 -91.000 TYR 157 0.840 -3.211 -88.817 27.630 -99.200 -91.000 TYR 159 0.840 -4.237 -87.464 21.516 -99.200 -91.000 TRP 179 1.040 -12.196 -87.804 14.236 -99.200 -91.000 TRP6 179 1.020 -13.683 -88.609 15.890 -99.200 -91.000 HIS 180 0.900 -17.669 -86.296 10.741 -99.200 -91.000 PHE 218 1.000 2.439 -98.411 7.417 -99.200 -91.000 TYR 221 0.840 -2.723 -93.693 1.035 -99.200 -91.000