============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 11 0.840 12.744 0.800 31.736 -99.200 -91.000 HIS 14 0.900 15.378 3.521 28.671 -99.200 -91.000 PHE 22 1.000 13.119 -4.162 30.309 -99.200 -91.000 HIS 41 0.900 17.915 0.885 32.650 -99.200 -91.000 TYR 46 0.840 25.210 0.066 24.428 -99.200 -91.000 HIS 52 0.900 27.599 -12.530 31.090 -99.200 -91.000 PHE 67 1.000 26.838 2.011 40.300 -99.200 -91.000 PHE 79 1.000 7.852 -5.397 37.355 -99.200 -91.000 HIS 88 0.900 9.753 -8.446 26.909 -99.200 -91.000 HIS 120 0.900 20.112 0.655 36.328 -99.200 -91.000 HIS 123 0.900 24.248 -3.468 41.895 -99.200 -91.000 TRP 148 1.040 23.435 5.303 28.856 -99.200 -91.000 TRP6 148 1.020 22.723 4.326 26.800 -99.200 -91.000 PHE 162 1.000 36.033 10.453 31.772 -99.200 -91.000 HIS 174 0.900 28.861 9.991 19.955 -99.200 -91.000 PHE 183 1.000 32.538 11.283 23.322 -99.200 -91.000 PHE 187 1.000 37.260 12.240 25.025 -99.200 -91.000 TYR 200 0.840 28.936 -0.492 21.384 -99.200 -91.000 HIS 201 0.900 22.822 6.967 18.672 -99.200 -91.000 TYR 213 0.840 22.224 2.463 13.883 -99.200 -91.000 TYR 218 0.840 35.202 13.493 13.928 -99.200 -91.000 TYR 228 0.840 31.162 -3.832 10.973 -99.200 -91.000 PHE 239 1.000 22.905 -1.388 10.360 -99.200 -91.000 TYR 261 0.840 20.284 5.893 1.238 -99.200 -91.000 TYR 267 0.840 15.001 10.279 -10.547 -99.200 -91.000 PHE 281 1.000 18.935 12.531 -17.387 -99.200 -91.000 HIS 294 0.900 18.072 21.775 2.564 -99.200 -91.000 PHE 323 1.000 9.388 4.485 -15.103 -99.200 -91.000 HIS 340 0.900 -0.163 17.150 3.596 -99.200 -91.000