============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 22 0.900 18.902 11.797 41.973 -99.200 -91.000 HIS 23 0.900 22.476 6.608 42.016 -99.200 -91.000 TYR 26 0.840 18.141 13.580 37.079 -99.200 -91.000 TYR 30 0.840 18.768 14.336 31.375 -99.200 -91.000 PHE 33 1.000 13.813 14.764 29.284 -99.200 -91.000 PHE 36 1.000 8.749 14.124 28.628 -99.200 -91.000 HIS 61 0.900 9.607 18.946 25.339 -99.200 -91.000 TYR 68 0.840 10.018 11.540 32.946 -99.200 -91.000 PHE 76 1.000 14.534 11.546 46.472 -99.200 -91.000 PHE 83 1.000 6.559 11.242 51.838 -99.200 -91.000 PHE 111 1.000 22.064 26.309 34.841 -99.200 -91.000 TRP 118 1.040 17.689 23.716 33.807 -99.200 -91.000 TRP6 118 1.020 16.962 25.961 33.590 -99.200 -91.000 TYR 125 0.840 14.189 15.956 23.293 -99.200 -91.000 TYR 127 0.840 14.273 21.257 27.782 -99.200 -91.000 HIS 137 0.900 6.254 30.451 34.305 -99.200 -91.000 PHE 148 1.000 18.004 26.974 43.632 -99.200 -91.000 HIS 158 0.900 31.317 15.341 48.678 -99.200 -91.000 HIS 162 0.900 21.198 17.166 43.624 -99.200 -91.000 TYR 198 0.840 28.694 13.011 52.834 -99.200 -91.000 HIS 203 0.900 31.960 19.068 50.647 -99.200 -91.000 HIS 209 0.900 34.446 28.927 55.902 -99.200 -91.000 TYR 212 0.840 22.788 22.161 58.110 -99.200 -91.000 HIS 229 0.900 5.578 27.360 38.884 -99.200 -91.000 TYR 233 0.840 -0.429 26.631 36.890 -99.200 -91.000 PHE 238 1.000 -6.271 34.813 35.670 -99.200 -91.000 PHE 254 1.000 3.136 23.322 39.577 -99.200 -91.000