============================================================================= 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. PHE 4 1.000 38.144 2.962 17.237 -99.200 -91.000 TYR 18 0.840 43.674 20.175 15.396 -99.200 -91.000 TYR 24 0.840 34.082 25.611 11.390 -99.200 -91.000 TYR 25 0.840 39.542 28.363 17.966 -99.200 -91.000 HIS 31 0.900 35.473 16.054 20.545 -99.200 -91.000 PHE 67 1.000 39.842 8.017 16.748 -99.200 -91.000 TYR 88 0.840 27.317 0.706 9.042 -99.200 -91.000 PHE 104 1.000 35.809 11.259 13.639 -99.200 -91.000 PHE 114 1.000 28.242 13.879 -0.276 -99.200 -91.000 TRP 126 1.040 31.231 -1.742 -5.855 -99.200 -91.000 TRP6 126 1.020 30.040 -1.180 -3.867 -99.200 -91.000 TRP 138 1.040 34.528 14.816 1.490 -99.200 -91.000 TRP6 138 1.020 34.287 12.775 0.321 -99.200 -91.000 TYR 139 0.840 37.925 15.054 -5.924 -99.200 -91.000 PHE 153 1.000 32.137 4.995 0.329 -99.200 -91.000 TRP 158 1.040 41.329 -2.025 5.005 -99.200 -91.000 TRP6 158 1.020 40.184 -0.146 5.905 -99.200 -91.000 TYR 161 0.840 42.628 5.314 4.268 -99.200 -91.000