============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 10 1.040 19.151 22.633 10.822 -99.200 -91.000 TRP6 10 1.020 17.792 23.720 12.424 -99.200 -91.000 TYR 13 0.840 23.752 26.841 20.470 -99.200 -91.000 TRP 18 1.040 40.177 19.773 27.517 -99.200 -91.000 TRP6 18 1.020 38.697 21.292 26.459 -99.200 -91.000 HIS 22 0.900 48.247 15.396 38.782 -99.200 -91.000 TRP 30 1.040 32.740 24.733 32.309 -99.200 -91.000 TRP6 30 1.020 31.305 26.357 31.340 -99.200 -91.000 TYR 38 0.840 23.575 18.420 15.047 -99.200 -91.000 HIS 66 0.900 39.368 -5.154 8.753 -99.200 -91.000 PHE 69 1.000 37.331 4.578 16.620 -99.200 -91.000 TRP 75 1.040 33.734 -0.147 39.638 -99.200 -91.000 TRP6 75 1.020 32.339 0.022 41.530 -99.200 -91.000 TRP 83 1.040 32.150 4.694 22.143 -99.200 -91.000 TRP6 83 1.020 33.492 4.784 20.193 -99.200 -91.000 PHE 95 1.000 33.129 14.971 4.872 -99.200 -91.000 HIS 100 0.900 28.527 1.540 7.937 -99.200 -91.000 TYR 103 0.840 25.105 1.829 13.389 -99.200 -91.000 PHE 113 1.000 40.803 15.907 14.048 -99.200 -91.000 PHE 115 1.000 41.400 18.522 4.513 -99.200 -91.000 HIS 127 0.900 26.205 12.234 7.212 -99.200 -91.000 HIS 166 0.900 23.762 29.805 10.146 -99.200 -91.000 TRP 169 1.040 20.889 32.144 -0.529 -99.200 -91.000 TRP6 169 1.020 21.079 34.309 0.446 -99.200 -91.000