============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 13 0.900 22.423 22.088 127.921 -99.200 -91.000 HIS 14 0.900 29.788 20.039 129.098 -99.200 -91.000 TRP 16 1.040 19.576 15.955 130.423 -99.200 -91.000 TRP6 16 1.020 19.014 16.386 128.177 -99.200 -91.000 PHE 19 1.000 26.577 12.690 133.875 -99.200 -91.000 HIS 20 0.900 20.543 12.151 127.710 -99.200 -91.000 TYR 22 0.840 30.037 9.942 130.208 -99.200 -91.000 HIS 23 0.900 20.887 5.880 128.596 -99.200 -91.000 TRP 24 1.040 21.872 7.836 123.751 -99.200 -91.000 TRP6 24 1.020 22.235 10.078 123.136 -99.200 -91.000 PHE 31 1.000 23.889 -1.277 126.482 -99.200 -91.000 PHE 32 1.000 19.396 -3.122 131.412 -99.200 -91.000 HIS 35 0.900 20.925 2.261 128.044 -99.200 -91.000 TYR 37 0.840 26.036 5.322 138.247 -99.200 -91.000 TYR 42 0.840 19.352 10.219 130.691 -99.200 -91.000 PHE 48 1.000 18.666 23.494 132.366 -99.200 -91.000 PHE 82 1.000 32.266 7.360 126.044 -99.200 -91.000 TYR 95 0.840 28.578 11.678 139.569 -99.200 -91.000 TYR 97 0.840 33.205 21.362 136.748 -99.200 -91.000 PHE 102 1.000 26.214 20.508 143.644 -99.200 -91.000 PHE 120 1.000 20.853 23.076 144.978 -99.200 -91.000 TYR 128 0.840 26.877 14.747 142.940 -99.200 -91.000 TRP 133 1.040 33.775 4.591 150.056 -99.200 -91.000 TRP6 133 1.020 31.842 3.395 150.698 -99.200 -91.000