============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 6 0.840 18.773 -0.148 -3.078 -99.200 -91.000 PHE 37 1.000 7.002 5.002 -3.950 -99.200 -91.000 PHE 45 1.000 1.578 3.420 -5.335 -99.200 -91.000 HIS 46 0.900 1.985 -3.699 -0.952 -99.200 -91.000 PHE 47 1.000 3.224 -1.170 -9.249 -99.200 -91.000 PHE 51 1.000 5.181 -11.619 -12.157 -99.200 -91.000 TRP 69 1.040 -1.791 -4.849 4.283 -99.200 -91.000 TRP6 69 1.020 -0.396 -3.465 2.965 -99.200 -91.000 PHE 78 1.000 1.402 -9.037 -13.897 -99.200 -91.000 PHE 80 1.000 5.673 -5.054 -13.715 -99.200 -91.000 PHE 86 1.000 11.292 -4.413 -13.270 -99.200 -91.000 HIS 96 0.900 -2.945 11.444 -10.192 -99.200 -91.000 PHE 97 1.000 2.565 7.989 -4.254 -99.200 -91.000 HIS 105 0.900 -1.404 6.021 -16.744 -99.200 -91.000 TYR 109 0.840 -2.962 3.854 -3.779 -99.200 -91.000 HIS 111 0.900 -0.374 11.578 -3.492 -99.200 -91.000 TYR 135 0.840 16.121 10.511 -4.914 -99.200 -91.000