============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 7 1.040 33.264 14.934 -9.036 -99.200 -91.000 TRP6 7 1.020 33.122 13.757 -6.983 -99.200 -91.000 HIS 12 0.900 38.882 24.660 -5.709 -99.200 -91.000 TRP 14 1.040 39.151 16.538 2.022 -99.200 -91.000 TRP6 14 1.020 37.213 16.035 3.318 -99.200 -91.000 HIS 24 0.900 39.336 21.193 9.372 -99.200 -91.000 TYR 29 0.840 35.411 9.924 14.885 -99.200 -91.000 PHE 33 1.000 31.921 9.536 18.614 -99.200 -91.000 HIS 36 0.900 22.434 11.708 14.915 -99.200 -91.000 PHE 43 1.000 33.732 4.832 16.408 -99.200 -91.000 PHE 46 1.000 38.645 5.797 19.859 -99.200 -91.000 HIS 48 0.900 37.264 5.006 27.064 -99.200 -91.000 HIS 81 0.900 36.128 7.862 -12.740 -99.200 -91.000 HIS 82 0.900 33.371 6.313 -5.188 -99.200 -91.000 HIS 93 0.900 34.042 1.275 8.199 -99.200 -91.000 HIS 97 0.900 35.383 -1.532 12.001 -99.200 -91.000 TYR 103 0.840 24.623 3.881 14.100 -99.200 -91.000 PHE 106 1.000 22.119 8.989 12.774 -99.200 -91.000 HIS 113 0.900 25.855 21.744 12.528 -99.200 -91.000 HIS 116 0.900 26.451 26.388 7.743 -99.200 -91.000 HIS 119 0.900 37.143 25.436 6.483 -99.200 -91.000 PHE 123 1.000 30.092 22.739 3.191 -99.200 -91.000 PHE 138 1.000 31.643 6.990 1.798 -99.200 -91.000 TYR 146 0.840 27.641 -1.291 4.548 -99.200 -91.000 TYR 151 0.840 25.663 -4.342 7.821 -99.200 -91.000