============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 33 0.840 21.327 -2.642 3.051 -99.200 -91.000 PHE 39 1.000 30.112 -6.233 2.023 -99.200 -91.000 HIS 62 0.900 42.672 -45.112 -5.004 -99.200 -91.000 TYR 78 0.840 41.376 -19.790 14.826 -99.200 -91.000 HIS 85 0.900 46.304 -34.599 13.445 -99.200 -91.000 TYR 102 0.840 37.345 -28.192 15.132 -99.200 -91.000 HIS 114 0.900 45.607 -31.844 -4.073 -99.200 -91.000 PHE 124 1.000 35.043 -25.711 -7.452 -99.200 -91.000 PHE 133 1.000 36.245 -17.478 -4.504 -99.200 -91.000 TRP 183 1.040 33.828 -32.104 5.909 -99.200 -91.000 TRP6 183 1.020 34.982 -32.043 3.847 -99.200 -91.000 TRP 202 1.040 14.165 -22.968 11.832 -99.200 -91.000 TRP6 202 1.020 14.184 -20.951 10.609 -99.200 -91.000 TYR 213 0.840 41.025 -1.764 7.505 -99.200 -91.000 TRP 223 1.040 18.630 -28.240 4.975 -99.200 -91.000 TRP6 223 1.020 20.908 -27.769 5.266 -99.200 -91.000 HIS 227 0.900 7.742 -22.637 6.335 -99.200 -91.000 TYR 235 0.840 30.517 -12.039 2.715 -99.200 -91.000 PHE 236 1.000 29.361 -4.513 10.564 -99.200 -91.000 HIS 259 0.900 9.119 -11.598 12.174 -99.200 -91.000 PHE 261 1.000 11.361 -16.202 4.769 -99.200 -91.000