============================================================================= 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. TYR 4 0.840 33.330 -28.312 116.719 -99.200 -91.000 PHE 5 1.000 34.285 -29.164 111.734 -99.200 -91.000 TYR 8 0.840 25.916 -28.705 117.764 -99.200 -91.000 HIS 12 0.900 28.013 -28.888 105.535 -99.200 -91.000 PHE 13 1.000 29.635 -27.004 112.847 -99.200 -91.000 HIS 14 0.900 34.663 -27.001 103.501 -99.200 -91.000 HIS 26 0.900 21.227 -28.206 107.422 -99.200 -91.000 PHE 34 1.000 15.844 -20.021 116.822 -99.200 -91.000 HIS 39 0.900 16.166 -20.090 122.697 -99.200 -91.000 PHE 42 1.000 21.256 -22.776 115.702 -99.200 -91.000 PHE 46 1.000 26.087 -19.816 117.598 -99.200 -91.000 TYR 47 0.840 31.864 -23.361 126.134 -99.200 -91.000 TRP 67 1.040 21.637 -15.124 108.629 -99.200 -91.000 TRP6 67 1.020 20.733 -14.753 110.799 -99.200 -91.000 PHE 73 1.000 5.789 -17.899 119.544 -99.200 -91.000 TRP 85 1.040 10.776 -16.585 129.248 -99.200 -91.000 TRP6 85 1.020 10.609 -16.280 126.905 -99.200 -91.000 TYR 89 0.840 16.537 -15.678 132.574 -99.200 -91.000 TRP 90 1.040 20.944 -21.489 131.948 -99.200 -91.000 TRP6 90 1.020 22.069 -22.890 130.393 -99.200 -91.000 HIS 117 0.900 16.320 -15.830 117.693 -99.200 -91.000 TYR 120 0.840 21.537 -16.458 116.794 -99.200 -91.000 PHE 135 1.000 20.101 -6.945 107.883 -99.200 -91.000 HIS 140 0.900 11.372 -10.541 119.716 -99.200 -91.000 HIS 152 0.900 17.225 -6.155 125.222 -99.200 -91.000 TRP 155 1.040 18.364 -5.032 115.191 -99.200 -91.000 TRP6 155 1.020 19.163 -4.339 113.055 -99.200 -91.000 TYR 162 0.840 18.271 9.443 120.428 -99.200 -91.000 TYR 166 0.840 10.626 4.877 112.740 -99.200 -91.000 PHE 167 1.000 15.168 -2.696 112.910 -99.200 -91.000 PHE 169 1.000 8.769 1.115 121.677 -99.200 -91.000 TYR 180 0.840 27.086 0.219 101.315 -99.200 -91.000 HIS 186 0.900 30.085 -3.781 108.164 -99.200 -91.000 TRP 199 1.040 34.524 -19.549 102.171 -99.200 -91.000 TRP6 199 1.020 36.056 -20.988 103.257 -99.200 -91.000 TYR 215 0.840 45.674 -12.674 122.889 -99.200 -91.000 TYR 234 0.840 15.216 -4.884 133.626 -99.200 -91.000