============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TRP 2 1.040 1.664 34.599 42.165 -99.200 -91.000 TRP6 2 1.020 3.395 33.883 40.731 -99.200 -91.000 PHE 6 1.000 5.109 34.723 45.863 -99.200 -91.000 HIS 22 0.900 29.782 35.296 42.477 -99.200 -91.000 PHE 30 1.000 4.113 39.358 44.684 -99.200 -91.000 TRP 34 1.040 3.080 40.755 36.265 -99.200 -91.000 TRP6 34 1.020 4.575 42.089 37.521 -99.200 -91.000 HIS 42 0.900 33.163 44.280 39.113 -99.200 -91.000 PHE 47 1.000 34.467 41.832 22.300 -99.200 -91.000 HIS 51 0.900 28.663 36.397 28.992 -99.200 -91.000 HIS 86 0.900 21.803 37.049 23.654 -99.200 -91.000 TRP 111 1.040 6.946 29.538 33.712 -99.200 -91.000 TRP6 111 1.020 5.880 31.168 35.043 -99.200 -91.000 HIS 138 0.900 8.321 10.145 51.584 -99.200 -91.000 HIS 139 0.900 10.639 3.115 51.254 -99.200 -91.000 HIS 140 0.900 9.161 7.149 43.763 -99.200 -91.000