============================================================================= 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. TYR 5 0.840 14.141 51.289 0.761 -99.200 -91.000 TYR 14 0.840 26.399 56.106 3.585 -99.200 -91.000 TYR 22 0.840 18.134 60.774 24.250 -99.200 -91.000 HIS 23 0.900 18.895 57.885 16.455 -99.200 -91.000 PHE 24 1.000 22.273 63.164 20.048 -99.200 -91.000 TRP 34 1.040 38.203 63.896 11.633 -99.200 -91.000 TRP6 34 1.020 37.705 65.837 12.853 -99.200 -91.000 HIS 40 0.900 19.168 70.225 13.787 -99.200 -91.000 TYR 42 0.840 27.920 71.139 21.206 -99.200 -91.000 PHE 64 1.000 27.390 50.656 21.214 -99.200 -91.000 HIS 73 0.900 30.374 77.055 9.185 -99.200 -91.000 TYR 76 0.840 23.167 76.030 13.967 -99.200 -91.000 TRP 121 1.040 18.288 53.429 13.318 -99.200 -91.000 TRP6 121 1.020 20.485 54.020 12.766 -99.200 -91.000 TYR 131 0.840 10.863 58.777 17.164 -99.200 -91.000 TYR 152 0.840 10.008 74.484 3.330 -99.200 -91.000 PHE 161 1.000 20.311 69.067 -0.942 -99.200 -91.000 TYR 165 0.840 9.410 61.344 -3.504 -99.200 -91.000 TRP 193 1.040 15.475 73.996 7.432 -99.200 -91.000 TRP6 193 1.020 13.567 75.118 6.598 -99.200 -91.000 TYR 206 0.840 16.992 66.649 3.022 -99.200 -91.000 TYR 212 0.840 28.547 74.388 4.644 -99.200 -91.000 TRP 215 1.040 34.392 74.977 8.176 -99.200 -91.000 TRP6 215 1.020 33.161 73.308 9.281 -99.200 -91.000