============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 13 1.040 45.558 22.205 -3.364 -99.200 -91.000 TRP6 13 1.020 45.211 22.050 -5.693 -99.200 -91.000 PHE 14 1.000 49.089 13.951 -2.446 -99.200 -91.000 PHE 35 1.000 43.836 12.123 -11.439 -99.200 -91.000 HIS 43 0.900 42.439 7.064 -24.324 -99.200 -91.000 PHE 55 1.000 48.377 25.810 -25.212 -99.200 -91.000 HIS 66 0.900 42.399 10.349 -7.292 -99.200 -91.000 PHE 69 1.000 32.653 8.475 -10.208 -99.200 -91.000 HIS 71 0.900 35.832 0.241 -7.401 -99.200 -91.000 HIS 72 0.900 33.648 6.318 -2.464 -99.200 -91.000 PHE 82 1.000 47.997 7.515 -10.952 -99.200 -91.000 HIS 84 0.900 58.315 8.272 -6.905 -99.200 -91.000 TYR 86 0.840 50.835 5.632 -14.093 -99.200 -91.000 PHE 90 1.000 48.995 17.498 -14.169 -99.200 -91.000 TYR 107 0.840 33.694 23.090 -11.120 -99.200 -91.000 HIS 126 0.900 31.813 19.601 -16.983 -99.200 -91.000 HIS 127 0.900 35.449 19.862 -24.001 -99.200 -91.000 PHE 128 1.000 31.902 11.236 -19.054 -99.200 -91.000