============================================================================= 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 8 1.000 -16.932 55.885 168.746 -99.200 -91.000 PHE 16 1.000 -22.806 54.810 170.034 -99.200 -91.000 HIS 20 0.900 -27.280 51.535 171.005 -99.200 -91.000 HIS 40 0.900 -11.536 45.565 164.850 -99.200 -91.000 TYR 44 0.840 -14.530 42.103 167.570 -99.200 -91.000 TYR 48 0.840 -15.517 48.981 180.187 -99.200 -91.000 HIS 49 0.900 -14.109 41.130 177.685 -99.200 -91.000 PHE 51 1.000 -22.767 48.449 170.646 -99.200 -91.000 TYR 57 0.840 -16.730 49.437 157.715 -99.200 -91.000 TYR 61 0.840 -24.673 58.134 156.812 -99.200 -91.000 TYR 63 0.840 -25.075 52.228 157.966 -99.200 -91.000 TRP 82 1.040 -20.195 69.744 166.074 -99.200 -91.000 TRP6 82 1.020 -19.905 67.452 166.573 -99.200 -91.000 PHE 97 1.000 -9.514 70.140 169.394 -99.200 -91.000 HIS 106 0.900 -16.429 70.728 169.120 -99.200 -91.000 HIS 133 0.900 -26.994 67.494 190.481 -99.200 -91.000 TYR 136 0.840 -26.534 73.501 182.530 -99.200 -91.000 HIS 141 0.900 -23.280 78.025 184.358 -99.200 -91.000 HIS 142 0.900 -24.495 79.214 176.731 -99.200 -91.000 PHE 164 1.000 -17.997 62.721 210.296 -99.200 -91.000 HIS 175 0.900 -6.200 56.882 187.093 -99.200 -91.000 TYR 177 0.840 -1.801 50.092 181.668 -99.200 -91.000 HIS 188 0.900 4.089 62.061 178.530 -99.200 -91.000 PHE 223 1.000 -8.824 66.908 198.536 -99.200 -91.000 TYR 271 0.840 -20.723 51.637 203.707 -99.200 -91.000 HIS 286 0.900 -22.680 53.223 192.385 -99.200 -91.000 PHE 305 1.000 -7.271 53.244 201.418 -99.200 -91.000 TRP 307 1.040 -12.206 49.762 195.687 -99.200 -91.000 TRP6 307 1.020 -10.270 48.799 194.763 -99.200 -91.000 TYR 308 0.840 -11.176 56.900 190.660 -99.200 -91.000 TRP 312 1.040 -19.698 51.293 182.718 -99.200 -91.000 TRP6 312 1.020 -19.966 50.926 180.399 -99.200 -91.000 TYR 314 0.840 -15.109 61.752 183.319 -99.200 -91.000