============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 20 1.040 21.086 73.072 42.763 -99.200 -91.000 TRP6 20 1.020 21.303 70.725 42.740 -99.200 -91.000 HIS 26 0.900 18.033 83.714 40.284 -99.200 -91.000 HIS 54 0.900 31.246 75.822 26.412 -99.200 -91.000 PHE 71 1.000 13.752 80.009 28.017 -99.200 -91.000 HIS 76 0.900 12.020 70.259 15.009 -99.200 -91.000 PHE 80 1.000 16.609 74.259 23.712 -99.200 -91.000 PHE 103 1.000 17.003 93.106 44.281 -99.200 -91.000 TRP 108 1.040 24.968 92.671 44.251 -99.200 -91.000 TRP6 108 1.020 22.717 93.279 44.644 -99.200 -91.000 HIS 109 0.900 18.440 88.619 45.912 -99.200 -91.000 TRP 110 1.040 23.135 81.900 45.016 -99.200 -91.000 TRP6 110 1.020 21.116 80.840 44.387 -99.200 -91.000 TRP 113 1.040 18.347 84.770 49.786 -99.200 -91.000 TRP6 113 1.020 16.620 84.079 51.245 -99.200 -91.000 HIS 118 0.900 25.022 86.481 61.205 -99.200 -91.000 PHE 127 1.000 23.657 92.745 50.774 -99.200 -91.000 PHE 135 1.000 19.530 96.199 49.274 -99.200 -91.000 TRP 136 1.040 19.528 100.206 53.832 -99.200 -91.000 TRP6 136 1.020 17.980 100.274 52.052 -99.200 -91.000 HIS 140 0.900 26.619 106.335 49.004 -99.200 -91.000 PHE 149 1.000 16.015 98.705 46.459 -99.200 -91.000 TYR 167 0.840 -5.272 109.965 54.169 -99.200 -91.000 PHE 169 1.000 -2.800 111.840 50.543 -99.200 -91.000 PHE 192 1.000 -5.602 114.231 46.847 -99.200 -91.000 PHE 229 1.000 14.871 106.373 56.808 -99.200 -91.000 PHE 230 1.000 17.832 105.024 61.066 -99.200 -91.000 TYR 240 0.840 5.641 114.909 58.722 -99.200 -91.000 HIS 244 0.900 5.650 98.489 50.464 -99.200 -91.000 HIS 247 0.900 8.750 96.132 53.953 -99.200 -91.000 TRP 249 1.040 14.800 100.858 58.397 -99.200 -91.000 TRP6 249 1.020 17.152 101.105 58.364 -99.200 -91.000 PHE 287 1.000 8.924 80.933 50.325 -99.200 -91.000 PHE 306 1.000 4.215 98.379 61.047 -99.200 -91.000