============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 4 1.000 4.465 -2.977 15.830 -99.200 -91.000 TYR 5 0.840 7.536 0.087 25.716 -99.200 -91.000 TRP 15 1.040 5.141 19.852 25.783 -99.200 -91.000 TRP6 15 1.020 2.844 19.949 25.290 -99.200 -91.000 TRP 40 1.040 14.966 7.257 16.569 -99.200 -91.000 TRP6 40 1.020 16.039 7.634 14.508 -99.200 -91.000 PHE 41 1.000 18.356 2.639 22.617 -99.200 -91.000 HIS 43 0.900 23.545 10.497 22.497 -99.200 -91.000 HIS 44 0.900 31.320 4.287 20.894 -99.200 -91.000 HIS 86 0.900 32.701 1.407 9.687 -99.200 -91.000 TYR 89 0.840 27.510 0.358 14.711 -99.200 -91.000 TRP 92 1.040 26.964 1.396 21.340 -99.200 -91.000 TRP6 92 1.020 25.250 1.478 19.723 -99.200 -91.000 PHE 96 1.000 20.593 -1.787 20.684 -99.200 -91.000 TYR 106 0.840 8.480 -5.737 14.022 -99.200 -91.000 HIS 123 0.900 39.004 0.202 3.665 -99.200 -91.000 TYR 134 0.840 30.253 -7.915 14.488 -99.200 -91.000 TYR 149 0.840 11.938 -5.255 10.031 -99.200 -91.000 PHE 150 1.000 21.232 -5.539 7.435 -99.200 -91.000 HIS 154 0.900 14.248 9.162 0.643 -99.200 -91.000 TRP 157 1.040 19.198 8.977 -1.777 -99.200 -91.000 TRP6 157 1.020 19.175 8.917 0.578 -99.200 -91.000 HIS 158 0.900 21.576 5.982 -3.845 -99.200 -91.000 TRP 166 1.040 25.354 -0.170 -2.752 -99.200 -91.000 TRP6 166 1.020 24.017 1.728 -3.185 -99.200 -91.000 HIS 177 0.900 14.640 -11.674 11.277 -99.200 -91.000 TYR 186 0.840 9.455 15.099 6.411 -99.200 -91.000 TRP 188 1.040 2.597 11.718 -1.577 -99.200 -91.000 TRP6 188 1.020 0.728 12.289 -0.238 -99.200 -91.000 TYR 195 0.840 13.523 2.351 -2.258 -99.200 -91.000 TRP 226 1.040 17.600 16.455 4.802 -99.200 -91.000 TRP6 226 1.020 18.386 16.797 7.015 -99.200 -91.000 PHE 250 1.000 1.609 1.088 5.779 -99.200 -91.000 TRP 252 1.040 3.478 7.271 13.355 -99.200 -91.000 TRP6 252 1.020 2.480 8.852 14.792 -99.200 -91.000 PHE 269 1.000 6.501 17.161 21.591 -99.200 -91.000 TYR 275 0.840 -3.018 21.823 17.963 -99.200 -91.000