============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 6 1.000 27.118 13.373 6.847 -99.200 -91.000 HIS 23 0.900 14.433 42.397 -8.608 -99.200 -91.000 PHE 25 1.000 16.507 34.612 -5.409 -99.200 -91.000 TYR 37 0.840 37.876 10.378 -0.423 -99.200 -91.000 PHE 44 1.000 23.691 24.817 -5.803 -99.200 -91.000 TRP 55 1.040 23.759 31.570 -11.042 -99.200 -91.000 TRP6 55 1.020 22.351 30.124 -9.811 -99.200 -91.000 PHE 66 1.000 27.532 16.075 2.319 -99.200 -91.000 TYR 69 0.840 35.236 19.179 11.546 -99.200 -91.000 HIS 72 0.900 44.406 17.237 13.969 -99.200 -91.000 HIS 76 0.900 37.584 20.222 18.544 -99.200 -91.000 PHE 78 1.000 26.108 21.666 15.816 -99.200 -91.000 PHE 79 1.000 29.357 22.522 10.657 -99.200 -91.000 TYR 87 0.840 23.662 21.588 10.327 -99.200 -91.000 PHE 94 1.000 24.985 42.412 8.656 -99.200 -91.000 PHE 95 1.000 26.328 39.986 -0.206 -99.200 -91.000 TYR 101 0.840 21.905 37.809 -0.504 -99.200 -91.000 PHE 109 1.000 21.806 12.082 6.057 -99.200 -91.000 PHE 125 1.000 21.675 43.033 -1.333 -99.200 -91.000 HIS 134 0.900 22.962 40.401 -11.931 -99.200 -91.000 TYR 138 0.840 29.677 31.130 -12.770 -99.200 -91.000 TYR 140 0.840 32.531 31.576 -3.444 -99.200 -91.000 HIS 143 0.900 35.982 32.872 0.727 -99.200 -91.000 TYR 146 0.840 38.707 32.505 11.308 -99.200 -91.000 PHE 160 1.000 31.514 32.097 6.266 -99.200 -91.000 HIS 164 0.900 31.438 36.977 -2.824 -99.200 -91.000 HIS 176 0.900 29.154 34.901 4.375 -99.200 -91.000 TYR 177 0.840 28.646 39.115 12.100 -99.200 -91.000 HIS 194 0.900 36.225 23.687 14.651 -99.200 -91.000 TYR 195 0.840 41.765 27.410 10.113 -99.200 -91.000 HIS 212 0.900 23.877 26.133 -15.905 -99.200 -91.000 PHE 218 1.000 37.832 19.323 -3.962 -99.200 -91.000 HIS 226 0.900 47.817 20.074 18.988 -99.200 -91.000