============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 7 1.040 19.172 -19.706 15.970 -99.200 -91.000 TRP6 7 1.020 19.082 -20.713 13.826 -99.200 -91.000 TRP 14 1.040 9.641 -22.832 8.335 -99.200 -91.000 TRP6 14 1.020 10.714 -22.674 6.236 -99.200 -91.000 HIS 24 0.900 4.901 -19.169 1.445 -99.200 -91.000 PHE 33 1.000 13.145 -25.971 -11.298 -99.200 -91.000 HIS 36 0.900 20.030 -18.435 -11.117 -99.200 -91.000 PHE 43 1.000 15.199 -30.484 -9.389 -99.200 -91.000 PHE 46 1.000 10.033 -31.138 -10.913 -99.200 -91.000 HIS 48 0.900 7.485 -32.327 -17.454 -99.200 -91.000 HIS 64 0.900 11.756 -31.978 -5.289 -99.200 -91.000 HIS 81 0.900 22.703 -26.888 18.914 -99.200 -91.000 HIS 82 0.900 22.368 -27.113 10.746 -99.200 -91.000 HIS 93 0.900 20.136 -32.307 -2.379 -99.200 -91.000 HIS 97 0.900 19.526 -35.930 -5.711 -99.200 -91.000 TYR 103 0.840 23.380 -25.478 -10.383 -99.200 -91.000 PHE 106 1.000 22.731 -19.750 -9.227 -99.200 -91.000 HIS 113 0.900 11.992 -12.072 -6.137 -99.200 -91.000 HIS 116 0.900 11.753 -8.583 1.042 -99.200 -91.000 HIS 119 0.900 4.432 -13.894 3.323 -99.200 -91.000 PHE 123 1.000 11.833 -11.645 4.658 -99.200 -91.000 PHE 138 1.000 20.441 -25.806 3.756 -99.200 -91.000 TYR 146 0.840 27.926 -29.999 -1.865 -99.200 -91.000 PHE 151 1.000 29.441 -32.023 -6.166 -99.200 -91.000