============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 34 0.900 14.343 25.821 50.889 -99.200 -91.000 HIS 37 0.900 16.570 23.892 47.074 -99.200 -91.000 TYR 51 0.840 36.388 20.852 37.755 -99.200 -91.000 PHE 71 1.000 21.855 31.834 12.435 -99.200 -91.000 PHE 75 1.000 25.997 28.668 14.399 -99.200 -91.000 PHE 104 1.000 20.826 20.963 29.241 -99.200 -91.000 TYR 128 0.840 26.458 20.683 26.665 -99.200 -91.000 PHE 152 1.000 25.516 40.709 19.688 -99.200 -91.000 HIS 182 0.900 20.138 38.113 -4.220 -99.200 -91.000 HIS 190 0.900 26.315 48.342 -0.742 -99.200 -91.000 TYR 192 0.840 22.199 46.182 9.244 -99.200 -91.000 HIS 197 0.900 33.406 46.812 4.358 -99.200 -91.000 TYR 203 0.840 36.811 42.549 19.681 -99.200 -91.000 TRP 206 1.040 35.675 40.320 13.062 -99.200 -91.000 TRP6 206 1.020 36.097 38.441 11.671 -99.200 -91.000 TRP 225 1.040 31.360 26.028 12.209 -99.200 -91.000 TRP6 225 1.020 31.650 26.785 14.439 -99.200 -91.000 HIS 226 0.900 33.261 26.926 6.728 -99.200 -91.000 PHE 231 1.000 35.283 37.451 16.955 -99.200 -91.000 TRP 252 1.040 28.114 40.469 35.929 -99.200 -91.000 TRP6 252 1.020 28.298 39.395 38.037 -99.200 -91.000 HIS 264 0.900 22.042 47.865 49.060 -99.200 -91.000 PHE 266 1.000 21.219 57.903 43.456 -99.200 -91.000 PHE 271 1.000 20.851 60.295 48.026 -99.200 -91.000 TYR 274 0.840 19.075 66.901 51.050 -99.200 -91.000 TYR 275 0.840 19.241 62.671 42.808 -99.200 -91.000 PHE 299 1.000 20.182 63.137 53.234 -99.200 -91.000