============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.578 15.312 7.288 -99.200 -91.000 TRP6 9 1.020 42.350 13.409 8.423 -99.200 -91.000 TYR 10 0.840 45.517 17.038 -0.007 -99.200 -91.000 PHE 17 1.000 36.932 15.952 5.046 -99.200 -91.000 TYR 31 0.840 35.504 15.832 -0.953 -99.200 -91.000 TYR 42 0.840 31.417 21.505 -6.031 -99.200 -91.000 TYR 48 0.840 33.307 15.905 16.656 -99.200 -91.000 TRP 63 1.040 32.281 14.733 4.246 -99.200 -91.000 TRP6 63 1.020 33.829 13.225 5.142 -99.200 -91.000 TRP 67 1.040 28.819 16.223 -5.403 -99.200 -91.000 TRP6 67 1.020 31.073 16.675 -4.956 -99.200 -91.000 TYR 71 0.840 33.126 29.396 -10.014 -99.200 -91.000 HIS 75 0.900 20.989 19.456 -12.105 -99.200 -91.000 TRP 80 1.040 33.017 10.926 1.224 -99.200 -91.000 TRP6 80 1.020 32.189 12.798 0.138 -99.200 -91.000 TYR 84 0.840 40.729 11.274 13.887 -99.200 -91.000 TRP 96 1.040 32.482 7.249 -1.986 -99.200 -91.000 TRP6 96 1.020 31.387 6.974 -4.047 -99.200 -91.000 TRP 108 1.040 16.331 1.444 -12.807 -99.200 -91.000 TRP6 108 1.020 18.361 0.448 -13.469 -99.200 -91.000 HIS 115 0.900 36.440 1.114 -1.471 -99.200 -91.000 PHE 118 1.000 38.512 11.553 2.304 -99.200 -91.000