============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 29 0.840 9.809 57.255 18.437 -99.200 -91.000 TRP 30 1.040 12.830 64.672 16.400 -99.200 -91.000 TRP6 30 1.020 14.322 66.488 16.251 -99.200 -91.000 TRP 33 1.040 17.225 53.368 10.475 -99.200 -91.000 TRP6 33 1.020 17.557 51.211 11.373 -99.200 -91.000 TRP 44 1.040 21.840 61.168 10.389 -99.200 -91.000 TRP6 44 1.020 21.249 62.431 8.488 -99.200 -91.000 TYR 51 0.840 14.798 66.428 7.922 -99.200 -91.000 TYR 52 0.840 15.470 59.414 3.363 -99.200 -91.000 PHE 60 1.000 20.307 53.185 2.702 -99.200 -91.000 TYR 72 0.840 8.755 48.524 9.859 -99.200 -91.000 TYR 85 0.840 23.243 50.110 7.323 -99.200 -91.000 TYR 86 0.840 25.865 50.399 15.853 -99.200 -91.000 PHE 88 1.000 22.393 58.745 17.785 -99.200 -91.000 TYR 93 0.840 17.467 56.731 25.548 -99.200 -91.000 TRP 94 1.040 24.286 55.448 20.099 -99.200 -91.000 TRP6 94 1.020 25.216 55.639 17.930 -99.200 -91.000 TYR 113 0.840 37.556 21.987 10.420 -99.200 -91.000 TYR 129 0.840 32.855 32.843 9.275 -99.200 -91.000 PHE 130 1.000 30.885 37.013 2.296 -99.200 -91.000 TRP 138 1.040 35.023 28.654 23.991 -99.200 -91.000 TRP6 138 1.020 36.035 26.678 23.214 -99.200 -91.000 HIS 148 0.900 41.964 36.146 25.323 -99.200 -91.000 PHE 150 1.000 42.616 35.299 19.233 -99.200 -91.000 TYR 159 0.840 34.552 37.941 6.566 -99.200 -91.000 TRP 172 1.040 39.373 19.142 27.733 -99.200 -91.000 TRP6 172 1.020 41.447 18.446 26.844 -99.200 -91.000 HIS 183 0.900 27.442 32.043 8.685 -99.200 -91.000