============================================================================= 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 11.057 -85.473 39.748 -99.200 -91.000 PHE 14 1.000 15.292 -78.450 35.771 -99.200 -91.000 TYR 18 0.840 15.701 -77.902 29.795 -99.200 -91.000 HIS 65 0.900 -0.298-106.052 14.169 -99.200 -91.000 HIS 83 0.900 12.005-102.098 22.697 -99.200 -91.000 HIS 91 0.900 2.355-110.746 21.914 -99.200 -91.000 TYR 94 0.840 9.057-115.056 23.516 -99.200 -91.000 TYR 95 0.840 2.591-114.623 24.607 -99.200 -91.000 PHE 115 1.000 15.856 -89.535 31.068 -99.200 -91.000 PHE 130 1.000 14.728 -93.171 22.892 -99.200 -91.000 HIS 139 0.900 -8.049-104.147 13.162 -99.200 -91.000 TYR 145 0.840 -9.248 -99.973 11.458 -99.200 -91.000 PHE 148 1.000 -2.534 -96.470 21.781 -99.200 -91.000 HIS 149 0.900 2.027 -87.275 21.453 -99.200 -91.000 PHE 156 1.000 0.792 -95.971 26.456 -99.200 -91.000 TYR 157 0.840 -2.929 -88.460 27.632 -99.200 -91.000 TYR 159 0.840 -3.851 -87.234 21.635 -99.200 -91.000 TRP 179 1.040 -12.044 -87.817 14.531 -99.200 -91.000 TRP6 179 1.020 -13.558 -88.415 16.244 -99.200 -91.000 HIS 180 0.900 -17.605 -86.721 10.789 -99.200 -91.000 PHE 218 1.000 2.719 -98.288 7.606 -99.200 -91.000 TYR 221 0.840 -2.567 -93.764 1.158 -99.200 -91.000