============================================================================= 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 -11.315 16.690 29.119 -99.200 -91.000 TYR 36 0.840 -8.483 21.521 28.348 -99.200 -91.000 HIS 38 0.900 -2.684 24.741 27.422 -99.200 -91.000 TRP 39 1.040 2.350 25.781 20.818 -99.200 -91.000 TRP6 39 1.020 4.295 24.694 20.020 -99.200 -91.000 TYR 40 0.840 3.052 27.937 29.346 -99.200 -91.000 TYR 53 0.840 -6.579 30.831 25.747 -99.200 -91.000 PHE 59 1.000 -2.981 34.896 29.297 -99.200 -91.000 PHE 66 1.000 4.553 35.452 19.200 -99.200 -91.000 PHE 75 1.000 -1.601 19.384 19.029 -99.200 -91.000 TYR 90 0.840 9.282 31.009 21.174 -99.200 -91.000 PHE 91 1.000 10.472 25.153 27.670 -99.200 -91.000 HIS 97 0.900 -4.515 12.830 28.578 -99.200 -91.000 PHE 101 1.000 5.091 22.158 31.735 -99.200 -91.000 PHE 121 1.000 38.299 43.701 32.142 -99.200 -91.000 PHE 138 1.000 32.893 41.342 28.076 -99.200 -91.000 PHE 142 1.000 31.477 37.235 20.562 -99.200 -91.000 TYR 143 0.840 24.768 36.352 14.747 -99.200 -91.000 TRP 151 1.040 43.871 33.416 27.457 -99.200 -91.000 TRP6 151 1.020 44.030 35.483 28.592 -99.200 -91.000 TRP 166 1.040 30.489 32.271 23.648 -99.200 -91.000 TRP6 166 1.020 32.021 30.475 23.828 -99.200 -91.000 TYR 176 0.840 25.216 34.547 20.552 -99.200 -91.000 TYR 189 0.840 49.936 37.736 37.123 -99.200 -91.000 HIS 192 0.900 55.727 32.812 32.551 -99.200 -91.000 TYR 195 0.840 50.838 37.051 32.279 -99.200 -91.000 HIS 201 0.900 33.228 36.844 15.016 -99.200 -91.000 PHE 212 1.000 48.209 41.578 31.869 -99.200 -91.000