============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 96.751 128.034 39.292 -99.200 -91.000 PHE 20 1.000 85.879 128.166 34.456 -99.200 -91.000 TYR 26 0.840 95.704 127.656 25.718 -99.200 -91.000 HIS 35 0.900 104.513 130.876 36.271 -99.200 -91.000 TYR 50 0.840 76.063 110.568 44.865 -99.200 -91.000 PHE 57 1.000 70.123 105.903 53.970 -99.200 -91.000 PHE 63 1.000 80.333 105.090 54.017 -99.200 -91.000 PHE 66 1.000 87.320 106.449 53.854 -99.200 -91.000 TYR 87 0.840 101.613 111.501 37.942 -99.200 -91.000 PHE 94 1.000 99.787 117.258 50.372 -99.200 -91.000 TRP 95 1.040 104.479 111.420 50.484 -99.200 -91.000 TRP6 95 1.020 106.068 112.628 51.750 -99.200 -91.000 TRP 98 1.040 109.036 116.402 45.273 -99.200 -91.000 TRP6 98 1.020 110.492 114.875 44.195 -99.200 -91.000 HIS 112 0.900 95.086 112.324 54.220 -99.200 -91.000 HIS 115 0.900 93.519 116.620 56.648 -99.200 -91.000 PHE 127 1.000 105.074 117.179 50.338 -99.200 -91.000 TYR 143 0.840 81.717 139.972 48.049 -99.200 -91.000 PHE 207 1.000 100.273 133.082 31.488 -99.200 -91.000 HIS 214 0.900 93.524 139.347 42.218 -99.200 -91.000