============================================================================= 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. HIS 30 0.900 -11.523 16.785 28.622 -99.200 -91.000 TYR 36 0.840 -8.557 21.763 27.621 -99.200 -91.000 HIS 38 0.900 -2.770 25.012 26.686 -99.200 -91.000 TRP 39 1.040 2.417 26.199 20.247 -99.200 -91.000 TRP6 39 1.020 4.411 25.074 19.660 -99.200 -91.000 TYR 40 0.840 3.090 28.061 28.550 -99.200 -91.000 TYR 53 0.840 -6.503 31.110 25.154 -99.200 -91.000 PHE 59 1.000 -2.615 35.264 28.560 -99.200 -91.000 PHE 66 1.000 4.854 35.660 18.822 -99.200 -91.000 PHE 75 1.000 -1.520 19.470 18.665 -99.200 -91.000 TYR 90 0.840 9.336 31.298 20.567 -99.200 -91.000 PHE 91 1.000 10.667 25.399 27.067 -99.200 -91.000 HIS 97 0.900 -4.583 12.783 27.709 -99.200 -91.000 PHE 101 1.000 5.151 22.533 30.897 -99.200 -91.000 PHE 121 1.000 38.617 44.130 31.271 -99.200 -91.000 PHE 138 1.000 33.222 41.656 27.351 -99.200 -91.000 PHE 142 1.000 31.650 37.389 19.835 -99.200 -91.000 TYR 143 0.840 25.104 36.498 14.209 -99.200 -91.000 TRP 151 1.040 44.227 33.510 26.786 -99.200 -91.000 TRP6 151 1.020 44.429 35.604 27.872 -99.200 -91.000 TRP 166 1.040 30.674 32.362 22.840 -99.200 -91.000 TRP6 166 1.020 32.273 30.682 23.296 -99.200 -91.000 TYR 176 0.840 25.441 34.869 20.069 -99.200 -91.000 TYR 189 0.840 50.228 38.008 36.269 -99.200 -91.000 HIS 192 0.900 56.354 33.008 31.744 -99.200 -91.000 TYR 195 0.840 51.056 37.275 31.575 -99.200 -91.000 HIS 201 0.900 33.424 37.172 14.635 -99.200 -91.000 PHE 212 1.000 48.753 42.042 31.343 -99.200 -91.000