============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 7 0.840 -0.334 12.309 -2.347 -99.200 -91.000 PHE 8 1.000 2.023 9.891 2.186 -99.200 -91.000 TYR 24 0.840 3.885 22.010 -15.463 -99.200 -91.000 PHE 26 1.000 8.066 23.462 -7.000 -99.200 -91.000 TYR 39 0.840 -1.474 13.599 -8.317 -99.200 -91.000 PHE 41 1.000 -5.123 10.630 -5.538 -99.200 -91.000 HIS 55 0.900 -3.006 19.229 -5.817 -99.200 -91.000 PHE 69 1.000 10.013 19.982 8.058 -99.200 -91.000 HIS 73 0.900 9.311 27.977 6.358 -99.200 -91.000 HIS 75 0.900 3.121 26.045 10.563 -99.200 -91.000 TYR 83 0.840 1.359 26.767 19.302 -99.200 -91.000 PHE 97 1.000 22.936 23.336 9.590 -99.200 -91.000 HIS 111 0.900 19.130 25.491 6.010 -99.200 -91.000 PHE 112 1.000 14.496 23.929 8.190 -99.200 -91.000 TRP 120 1.040 4.439 22.950 2.433 -99.200 -91.000 TRP6 120 1.020 2.250 23.803 2.168 -99.200 -91.000 PHE 130 1.000 6.712 6.347 18.560 -99.200 -91.000 TYR 131 0.840 8.838 13.813 21.905 -99.200 -91.000 TYR 141 0.840 16.329 9.763 13.277 -99.200 -91.000 PHE 144 1.000 19.324 4.866 5.040 -99.200 -91.000 PHE 149 1.000 12.587 7.349 11.152 -99.200 -91.000 PHE 150 1.000 17.172 0.359 10.174 -99.200 -91.000 HIS 152 0.900 20.174 3.135 14.321 -99.200 -91.000 PHE 153 1.000 13.582 -0.571 21.533 -99.200 -91.000 TYR 163 0.840 9.983 9.609 7.510 -99.200 -91.000 HIS 167 0.900 12.072 23.394 12.512 -99.200 -91.000 PHE 170 1.000 13.930 17.078 21.150 -99.200 -91.000 HIS 183 0.900 7.180 14.412 15.943 -99.200 -91.000