============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 26 0.840 66.749 24.216 168.016 -99.200 -91.000 PHE 28 1.000 60.120 23.043 169.096 -99.200 -91.000 TYR 31 0.840 67.928 21.995 163.378 -99.200 -91.000 TRP 35 1.040 60.411 13.454 173.907 -99.200 -91.000 TRP6 35 1.020 60.758 14.745 175.867 -99.200 -91.000 TRP 46 1.040 65.057 7.334 169.443 -99.200 -91.000 TRP6 46 1.020 63.508 6.411 167.907 -99.200 -91.000 TRP 49 1.040 61.295 10.696 164.761 -99.200 -91.000 TRP6 49 1.020 61.190 12.556 163.292 -99.200 -91.000 TYR 53 0.840 56.844 22.800 158.548 -99.200 -91.000 TYR 59 0.840 54.199 8.021 170.361 -99.200 -91.000 PHE 63 1.000 59.925 3.568 175.678 -99.200 -91.000 PHE 67 1.000 55.812 5.432 177.779 -99.200 -91.000 PHE 69 1.000 57.444 10.701 171.889 -99.200 -91.000 TYR 79 0.840 54.945 21.057 176.684 -99.200 -91.000 TYR 92 0.840 61.212 8.942 181.407 -99.200 -91.000 PHE 93 1.000 69.320 12.298 179.914 -99.200 -91.000 TYR 98 0.840 75.354 16.703 163.779 -99.200 -91.000 TYR 99 0.840 67.942 17.431 160.907 -99.200 -91.000 TYR 103 0.840 74.501 13.183 154.450 -99.200 -91.000 TYR 105 0.840 75.861 14.158 159.739 -99.200 -91.000 TYR 109 0.840 73.313 21.939 170.355 -99.200 -91.000 TRP 110 1.040 71.994 14.275 173.805 -99.200 -91.000 TRP6 110 1.020 71.130 12.137 174.420 -99.200 -91.000 TYR 129 0.840 70.846 14.447 212.165 -99.200 -91.000 TYR 152 0.840 67.469 12.247 200.750 -99.200 -91.000 PHE 153 1.000 60.705 7.587 197.998 -99.200 -91.000 TRP 161 1.040 79.607 21.873 201.446 -99.200 -91.000 TRP6 161 1.020 79.430 21.512 203.770 -99.200 -91.000 HIS 171 0.900 85.809 14.517 197.282 -99.200 -91.000 PHE 173 1.000 81.553 11.141 199.944 -99.200 -91.000 TYR 182 0.840 66.766 7.172 197.679 -99.200 -91.000 TRP 195 1.040 84.992 25.512 210.695 -99.200 -91.000 TRP6 195 1.020 85.491 23.852 212.301 -99.200 -91.000 HIS 206 0.900 63.106 15.698 200.045 -99.200 -91.000