============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 4 0.840 6.303 23.709 21.928 -99.200 -91.000 PHE 5 1.000 2.135 21.619 24.239 -99.200 -91.000 HIS 17 0.900 24.980 11.207 16.928 -99.200 -91.000 TRP 24 1.040 25.945 13.142 21.100 -99.200 -91.000 TRP6 24 1.020 24.627 12.666 22.953 -99.200 -91.000 PHE 40 1.000 13.730 16.468 43.345 -99.200 -91.000 HIS 65 0.900 13.177 24.223 38.915 -99.200 -91.000 TYR 80 0.840 30.957 13.277 32.498 -99.200 -91.000 TYR 84 0.840 22.599 26.230 31.971 -99.200 -91.000 TRP 96 1.040 21.054 12.047 38.548 -99.200 -91.000 TRP6 96 1.020 22.006 9.914 38.222 -99.200 -91.000 HIS 101 0.900 12.540 11.597 20.306 -99.200 -91.000 HIS 105 0.900 3.117 0.303 21.473 -99.200 -91.000 TYR 116 0.840 21.606 3.917 25.989 -99.200 -91.000 PHE 128 1.000 26.370 11.015 34.730 -99.200 -91.000 PHE 132 1.000 28.566 14.826 37.154 -99.200 -91.000 HIS 144 0.900 11.316 11.420 41.441 -99.200 -91.000 PHE 161 1.000 13.016 2.110 29.931 -99.200 -91.000 HIS 163 0.900 6.026 -0.997 37.475 -99.200 -91.000 PHE 165 1.000 15.835 3.710 35.303 -99.200 -91.000 HIS 194 0.900 1.927 21.642 28.288 -99.200 -91.000 TRP 202 1.040 -0.251 17.356 22.672 -99.200 -91.000 TRP6 202 1.020 1.513 16.074 23.534 -99.200 -91.000 TRP 215 1.040 13.108 1.615 45.620 -99.200 -91.000 TRP6 215 1.020 13.239 -0.680 45.099 -99.200 -91.000