============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 3 0.900 -22.215 -27.929 -9.775 -99.200 -91.000 HIS 6 0.900 -23.429 -37.558 -3.746 -99.200 -91.000 HIS 7 0.900 -25.723 -40.114 -11.208 -99.200 -91.000 PHE 16 1.000 -42.674 -53.708 -32.284 -99.200 -91.000 HIS 23 0.900 -23.498 -41.005 -42.250 -99.200 -91.000 TYR 28 0.840 -10.965 -45.469 -35.821 -99.200 -91.000 TRP 29 1.040 -17.337 -47.531 -29.745 -99.200 -91.000 TRP6 29 1.020 -17.962 -46.533 -27.685 -99.200 -91.000 TYR 34 0.840 -4.245 -39.271 -18.848 -99.200 -91.000 PHE 35 1.000 -7.287 -32.999 -22.645 -99.200 -91.000 PHE 45 1.000 -7.179 -46.799 -27.155 -99.200 -91.000 TYR 59 0.840 -3.772 -52.513 -13.816 -99.200 -91.000 PHE 68 1.000 -5.949 -43.830 -23.694 -99.200 -91.000 HIS 77 0.900 5.361 -29.558 -19.378 -99.200 -91.000 HIS 88 0.900 -5.356 -43.723 -4.452 -99.200 -91.000 TRP 104 1.040 -25.962 -48.112 -21.015 -99.200 -91.000 TRP6 104 1.020 -27.395 -48.482 -19.177 -99.200 -91.000 HIS 111 0.900 -9.656 -44.341 -4.450 -99.200 -91.000 PHE 114 1.000 -16.030 -36.862 -8.233 -99.200 -91.000 TYR 118 0.840 -24.016 -30.398 -22.400 -99.200 -91.000 TYR 119 0.840 -29.576 -39.692 -20.558 -99.200 -91.000 HIS 133 0.900 -24.907 -35.701 -13.589 -99.200 -91.000 TYR 136 0.840 -21.121 -42.512 -4.422 -99.200 -91.000 TYR 140 0.840 -23.764 -51.231 -16.993 -99.200 -91.000 PHE 144 1.000 -24.797 -39.486 -26.534 -99.200 -91.000 HIS 150 0.900 -31.562 -36.687 -34.855 -99.200 -91.000 PHE 202 1.000 -10.066 -42.043 -15.118 -99.200 -91.000 TRP 206 1.040 -15.747 -30.088 -12.510 -99.200 -91.000 TRP6 206 1.020 -15.877 -32.273 -13.428 -99.200 -91.000 TYR 210 0.840 -15.714 -32.138 -5.073 -99.200 -91.000 TRP 221 1.040 -9.136 -33.339 -17.482 -99.200 -91.000 TRP6 221 1.020 -10.151 -32.509 -19.452 -99.200 -91.000 HIS 225 0.900 -14.213 -34.842 -29.146 -99.200 -91.000 HIS 227 0.900 -15.158 -40.759 -33.883 -99.200 -91.000 HIS 238 0.900 -22.956 -30.647 -44.336 -99.200 -91.000