============================================================================= 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 10.669 -85.811 40.039 -99.200 -91.000 PHE 14 1.000 14.716 -78.998 35.917 -99.200 -91.000 TYR 18 0.840 15.237 -78.459 29.979 -99.200 -91.000 HIS 65 0.900 -0.734-106.153 13.790 -99.200 -91.000 HIS 83 0.900 11.167-102.488 22.618 -99.200 -91.000 HIS 91 0.900 1.721-111.137 21.898 -99.200 -91.000 TYR 94 0.840 8.702-115.525 23.114 -99.200 -91.000 TYR 95 0.840 2.038-115.005 24.666 -99.200 -91.000 PHE 115 1.000 15.384 -90.270 30.934 -99.200 -91.000 PHE 130 1.000 14.128 -93.522 22.993 -99.200 -91.000 HIS 139 0.900 -8.403-104.251 12.841 -99.200 -91.000 TYR 145 0.840 -9.708-100.080 11.090 -99.200 -91.000 PHE 148 1.000 -3.222 -96.768 21.483 -99.200 -91.000 HIS 149 0.900 1.321 -87.556 21.317 -99.200 -91.000 PHE 156 1.000 0.017 -96.214 26.124 -99.200 -91.000 TYR 157 0.840 -3.212 -88.860 27.504 -99.200 -91.000 TYR 159 0.840 -4.314 -87.462 21.439 -99.200 -91.000 TRP 179 1.040 -12.359 -87.958 14.329 -99.200 -91.000 TRP6 179 1.020 -13.908 -88.656 15.971 -99.200 -91.000 HIS 180 0.900 -17.688 -86.285 10.675 -99.200 -91.000 PHE 218 1.000 2.414 -98.478 7.391 -99.200 -91.000 TYR 221 0.840 -2.939 -93.633 1.005 -99.200 -91.000