============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 26 0.840 12.871 11.881 13.347 -99.200 -91.000 PHE 28 1.000 5.948 11.598 12.953 -99.200 -91.000 TYR 31 0.840 14.689 10.886 7.801 -99.200 -91.000 TRP 32 1.040 10.005 4.071 5.038 -99.200 -91.000 TRP6 32 1.020 7.832 3.357 4.447 -99.200 -91.000 TRP 35 1.040 4.320 1.216 15.348 -99.200 -91.000 TRP6 35 1.020 3.936 1.942 17.573 -99.200 -91.000 TRP 46 1.040 8.754 -4.786 10.478 -99.200 -91.000 TRP6 46 1.020 7.365 -5.133 8.579 -99.200 -91.000 TYR 51 0.840 8.300 8.583 3.768 -99.200 -91.000 TYR 56 0.840 4.092 2.885 0.348 -99.200 -91.000 HIS 58 0.900 5.705 -1.127 2.769 -99.200 -91.000 TYR 59 0.840 -0.904 -2.578 8.312 -99.200 -91.000 PHE 63 1.000 1.957 -9.112 14.586 -99.200 -91.000 TYR 79 0.840 -1.540 8.666 18.048 -99.200 -91.000 TYR 92 0.840 2.372 -5.067 21.425 -99.200 -91.000 TYR 93 0.840 11.240 -2.690 22.513 -99.200 -91.000 TRP 100 1.040 23.446 2.280 5.247 -99.200 -91.000 TRP6 100 1.020 22.720 0.157 4.490 -99.200 -91.000 PHE 101 1.000 24.051 5.432 10.361 -99.200 -91.000 TYR 103 0.840 18.920 7.609 16.286 -99.200 -91.000 TRP 104 1.040 15.659 -0.032 18.258 -99.200 -91.000 TRP6 104 1.020 14.302 -1.943 17.973 -99.200 -91.000 TYR 123 0.840 5.969 -1.536 53.210 -99.200 -91.000 TYR 140 0.840 4.758 -3.864 41.225 -99.200 -91.000 PHE 141 1.000 -2.387 -6.891 37.320 -99.200 -91.000 TRP 149 1.040 18.728 2.039 45.063 -99.200 -91.000 TRP6 149 1.020 18.074 1.952 47.340 -99.200 -91.000 HIS 159 0.900 23.648 -6.779 42.357 -99.200 -91.000 PHE 161 1.000 17.902 -9.029 43.742 -99.200 -91.000 TYR 170 0.840 3.272 -8.782 38.342 -99.200 -91.000 TRP 183 1.040 22.624 5.313 54.951 -99.200 -91.000 TRP6 183 1.020 22.135 3.849 56.742 -99.200 -91.000 HIS 194 0.900 1.901 0.717 39.307 -99.200 -91.000