============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 2 0.840 -9.042 23.384 -3.479 -99.200 -91.000 TYR 4 0.840 -5.787 18.349 -5.808 -99.200 -91.000 TYR 11 0.840 -3.975 15.401 -1.167 -99.200 -91.000 HIS 18 0.900 -7.097 39.021 -6.240 -99.200 -91.000 PHE 28 1.000 -6.502 19.879 -0.702 -99.200 -91.000 PHE 52 1.000 -4.118 37.254 23.446 -99.200 -91.000 PHE 53 1.000 -10.231 31.479 25.361 -99.200 -91.000 TYR 60 0.840 -14.993 35.442 21.047 -99.200 -91.000 PHE 65 1.000 -3.553 43.132 12.561 -99.200 -91.000 TYR 84 0.840 -11.567 22.114 15.798 -99.200 -91.000 HIS 86 0.900 -5.442 25.036 17.346 -99.200 -91.000 HIS 88 0.900 -2.272 29.019 16.925 -99.200 -91.000 TYR 96 0.840 10.939 44.395 5.213 -99.200 -91.000 HIS 102 0.900 -7.342 30.375 16.431 -99.200 -91.000 PHE 114 1.000 -1.098 28.187 2.303 -99.200 -91.000 TYR 119 0.840 -0.673 13.655 10.529 -99.200 -91.000 TYR 127 0.840 -16.786 23.287 25.078 -99.200 -91.000 TYR 136 0.840 -4.659 17.175 18.571 -99.200 -91.000 PHE 138 1.000 -3.882 12.568 20.756 -99.200 -91.000