============================================================================= 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 33.817 34.290 20.934 -99.200 -91.000 TRP6 7 1.020 31.942 33.446 19.768 -99.200 -91.000 HIS 12 0.900 32.534 46.037 13.411 -99.200 -91.000 TRP 14 1.040 24.507 38.338 13.347 -99.200 -91.000 TRP6 14 1.020 24.394 36.634 11.712 -99.200 -91.000 HIS 24 0.900 22.954 41.651 5.271 -99.200 -91.000 PHE 33 1.000 15.836 27.906 -0.086 -99.200 -91.000 HIS 36 0.900 24.421 23.060 -1.201 -99.200 -91.000 PHE 43 1.000 12.538 26.245 4.451 -99.200 -91.000 PHE 46 1.000 9.996 29.484 1.116 -99.200 -91.000 HIS 48 0.900 5.004 26.110 -9.427 -99.200 -91.000 HIS 64 0.900 10.072 30.250 6.226 -99.200 -91.000 HIS 81 0.900 30.189 30.999 27.792 -99.200 -91.000 HIS 82 0.900 26.999 27.525 21.138 -99.200 -91.000 HIS 93 0.900 15.824 23.722 12.982 -99.200 -91.000 HIS 97 0.900 10.376 21.402 10.860 -99.200 -91.000 TYR 103 0.840 19.660 19.573 3.889 -99.200 -91.000 PHE 106 1.000 24.772 20.815 1.559 -99.200 -91.000 HIS 113 0.900 28.120 33.055 -2.551 -99.200 -91.000 HIS 116 0.900 34.961 37.084 0.109 -99.200 -91.000 HIS 119 0.900 28.004 43.485 4.296 -99.200 -91.000 PHE 123 1.000 32.859 37.490 5.773 -99.200 -91.000 PHE 138 1.000 24.510 26.675 14.517 -99.200 -91.000 TYR 146 0.840 20.465 17.499 14.242 -99.200 -91.000 TYR 151 0.840 16.539 12.534 15.233 -99.200 -91.000