============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 2 1.040 78.701 91.619 20.054 -99.200 -91.000 TRP6 2 1.020 79.930 92.007 18.088 -99.200 -91.000 PHE 18 1.000 67.040 79.556 14.086 -99.200 -91.000 PHE 19 1.000 60.685 78.004 20.597 -99.200 -91.000 PHE 21 1.000 57.284 74.851 22.478 -99.200 -91.000 TYR 22 0.840 61.089 67.014 23.266 -99.200 -91.000 TYR 27 0.840 60.152 76.280 32.065 -99.200 -91.000 PHE 29 1.000 68.092 82.508 27.321 -99.200 -91.000 HIS 40 0.900 59.529 94.993 28.361 -99.200 -91.000 TYR 50 0.840 62.564 82.095 12.547 -99.200 -91.000 HIS 51 0.900 60.172 73.400 18.333 -99.200 -91.000 HIS 60 0.900 61.675 66.351 11.984 -99.200 -91.000 TRP 66 1.040 57.151 78.359 16.832 -99.200 -91.000 TRP6 66 1.020 56.258 79.277 18.807 -99.200 -91.000 PHE 80 1.000 52.579 72.350 21.978 -99.200 -91.000 PHE 81 1.000 59.383 76.514 26.484 -99.200 -91.000 HIS 90 0.900 55.032 61.852 28.178 -99.200 -91.000 PHE 99 1.000 48.017 74.935 17.621 -99.200 -91.000 TYR 109 0.840 46.730 70.087 15.412 -99.200 -91.000 PHE 128 1.000 69.353 73.795 12.981 -99.200 -91.000 TYR 131 0.840 69.221 83.694 11.045 -99.200 -91.000 TYR 140 0.840 71.707 83.098 15.133 -99.200 -91.000 TYR 145 0.840 75.855 92.514 14.835 -99.200 -91.000 HIS 146 0.900 75.265 82.330 18.215 -99.200 -91.000 PHE 152 1.000 75.515 88.160 27.544 -99.200 -91.000 PHE 155 1.000 78.636 85.847 41.140 -99.200 -91.000 PHE 160 1.000 71.596 85.160 31.226 -99.200 -91.000 TYR 164 0.840 70.824 86.883 25.938 -99.200 -91.000