Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 C 0.34 R 0.05 C Shift Assignments>> C :: 174.852 CA :: 54.364 CB :: 32.774 CG :: 24.713 CE :: 41.993 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.334 HA :: 4.605 HB2 :: 1.800 HB3 :: 1.800 HG2 :: 1.423 HG3 :: 1.423 HD2 :: 1.658 HD3 :: 1.658 HE2 :: 2.959 HE3 :: 2.959 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.492 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.086 CA :: 63.433 CB :: 32.081 CG :: 27.479 CD :: 50.693 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.456 HB2 :: 1.914 HB3 :: 2.296 HG2 :: 2.012 HG3 :: 2.012 HD2 :: 3.649 HD3 :: 3.828 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.595 CA :: 62.000 CB :: 69.678 CG2 :: 21.660 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.140 HA :: 4.251 HB :: 4.217 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.759 Ave N Shift Values>> N :: 115.42(4.75) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.16 Q 0.08 K 0.05 HN Overlap>> 1.A47 1.A47 1.L25 1.L25 C Shift Assignments>> C :: 175.840 CA :: 53.606 CB :: 30.332 CG :: 36.081 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.336 HA :: 4.128 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 2.214 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.910 Ave N Shift Values>> N :: 120.67(3.48) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.09 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.N8 1.R50 1.N8 1.R50 1.N12 1.N12 C Shift Assignments>> C :: 174.809 CA :: 53.304 CB :: 38.952 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.471 HA :: 4.660 HB2 :: 2.696 HB3 :: 2.767 HD21 :: 7.576 HD22 :: 6.714 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.824 ND2 :: 112.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.R50 1.N7 1.N12 1.R50 1.N7 1.N12 C Shift Assignments>> C :: 175.067 CA :: 53.272 CB :: 38.970 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.468 HA :: 4.658 HB2 :: 2.697 HB3 :: 2.765 HD21 :: 6.901 HD22 :: 7.568 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.792 ND2 :: 112.970 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 M 0.16 Q 0.07 K 0.06 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 175.755 CA :: 53.459 CB :: 30.284 CG :: 36.093 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.323 HA :: 4.279 HG2 :: 2.208 HG3 :: 2.208 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.599 Ave N Shift Values>> N :: 120.67(3.48) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.25 K 0.16 F 0.08 Y 0.05 N 0.05 R 0.05 C 0.04 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 175.100 CA :: 54.458 CB :: 41.731 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.321 HA :: 4.583 HB2 :: 2.541 HB3 :: 2.645 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.643 Ave N Shift Values>> N :: 120.65(3.86) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.82 C 0.17 C Shift Assignments>> C :: 173.263 CA :: 53.200 CB :: 40.721 CD1 :: 131.662 CD2 :: 131.662 CE1 :: 131.165 CE2 :: 131.165 CZ :: 130.505 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.572 HA :: 4.655 HB2 :: 2.897 HB3 :: 2.700 HD1 :: 6.853 HD2 :: 6.853 HE1 :: 7.146 HE2 :: 7.146 HZ :: 7.144 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.726 Ave N Shift Values>> N :: 120.45(4.18) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.21 C 0.07 L 0.05 F 0.04 Y 0.03 HN Overlap>> 1.N8 1.R50 1.N7 1.N8 1.R50 1.N7 C Shift Assignments>> CA :: 51.818 CB :: 39.309 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.469 HA :: 4.751 HB2 :: 2.526 HB3 :: 2.925 HD21 :: 7.718 HD22 :: 6.827 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.827 ND2 :: 113.143 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 174.809 CA :: 61.209 CB :: 38.807 CG1 :: 29.524 CG2 :: 19.744 CD1 :: 14.387 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.157 HA :: 4.090 HB :: 1.974 HG12 :: 1.209 HG13 :: 1.409 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.113 Ave N Shift Values>> N :: 121.46(4.28) 1.V14 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.E44 1.E44 C Shift Assignments>> C :: 178.375 CA :: 66.486 CB :: 31.939 CG1 :: 21.519 CG2 :: 23.704 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.607 HA :: 3.459 HB :: 3.384(A) HG11 :: 0.765 HG12 :: 0.765 HG13 :: 0.765 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.950 Ave N Shift Values>> N :: 121.14(4.54) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.04 C 0.02 C Shift Assignments>> C :: 178.934 CA :: 55.312 CB :: 18.182 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.541 HA :: 3.852 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.336 Ave N Shift Values>> N :: 123.23(3.54) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.031 CA :: 66.734 CB :: 32.470 CG1 :: 22.868 CG2 :: 23.155 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.804 HA :: 3.736 HB :: 2.008 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.527 Ave N Shift Values>> N :: 121.14(4.54) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.33 I 0.05 C 0.03 HN Overlap>> 1.D120 1.L146 1.D120 1.L146 C Shift Assignments>> C :: 180.695 CA :: 55.508 CB :: 18.164 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.614 HA :: 4.070 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.119 Ave N Shift Values>> N :: 123.23(3.54) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.895 CA :: 62.453 CB :: 62.233 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.081 HA :: 4.075 HB2 :: 3.148 HB3 :: 3.557 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.018 Ave N Shift Values>> N :: 116.28(3.52) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.14 Y 0.11 D 0.1 F 0.1 E 0.03 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.809 CA :: 54.210 CB :: 38.097 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.774 HA :: 5.194 HB2 :: 2.629 HB3 :: 2.973 HD21 :: 7.549 HD22 :: 7.161 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.469 ND2 :: 112.485 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 175.110 CA :: 59.362 CB :: 40.428 CD1 :: 131.777 CD2 :: 131.777 CE1 :: 130.631 CE2 :: 130.631 CZ :: 130.355 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.706 HA :: 4.253 HB2 :: 2.673 HB3 :: 3.145 HD1 :: 7.609 HD2 :: 7.609 HE1 :: 7.340 HE2 :: 7.340 HZ :: 7.185 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.600 Ave N Shift Values>> N :: 120.45(4.18) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 177.731 CA :: 52.441 CB :: 19.834 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.615 HA :: 4.594 HB1 :: 1.520 HB2 :: 1.520 HB3 :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.769 Ave N Shift Values>> N :: 123.23(3.54) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.724 CA :: 62.491 CB :: 69.256 CG2 :: 22.100 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.295 HA :: 4.297 HB :: 4.316 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.703 Ave N Shift Values>> N :: 115.42(4.75) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.564 CA :: 61.189 CB :: 70.338 CG2 :: 21.500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.820 HA :: 4.414 HB :: 4.147 HG21 :: 1.154 HG22 :: 1.154 HG23 :: 1.154 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.528 Ave N Shift Values>> N :: 115.42(4.75) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 N 0.1 K 0.1 F 0.1 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.356 CA :: 54.415 CB :: 41.094 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.411 HA :: 4.579 HB2 :: 2.591 HB3 :: 2.591 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.165 Ave N Shift Values>> N :: 120.65(3.86) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.27 HN Overlap>> 1.A47 1.E6 1.A47 1.E6 C Shift Assignments>> C :: 177.301 CA :: 56.018 CB :: 41.919 CD1 :: 23.704 CD2 :: 25.100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.276 HA :: 4.273 HB2 :: 1.570 HB3 :: 1.570 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.894 Ave N Shift Values>> N :: 121.86(3.9) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 F 0.13 K 0.11 Y 0.11 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 176.915 CA :: 55.328 CB :: 40.970 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.290 HA :: 4.482 HB2 :: 2.660 HB3 :: 2.660 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.550 Ave N Shift Values>> N :: 120.65(3.86) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 178.418 CA :: 53.674 CB :: 19.017 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.062 HA :: 4.156 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.434 Ave N Shift Values>> N :: 123.23(3.54) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.14 F 0.12 Y 0.09 C 0.06 N 0.06 R 0.01 C Shift Assignments>> C :: 177.344 CA :: 55.192 CB :: 41.210 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.167 HA :: 4.580 HB2 :: 2.760 HB3 :: 2.760 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.738 Ave N Shift Values>> N :: 120.65(3.86) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.25 K 0.13 G 0.08 HN Overlap>> 1.D85 1.D85 C Shift Assignments>> C :: 177.215 CA :: 57.496 CB :: 30.231 CG :: 29.470 CD :: 43.384 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.167 HA :: 4.112 HB2 :: 1.774 HB3 :: 1.891 HD2 :: 3.188 HD3 :: 3.188 HE :: 7.342 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.504 NE :: 84.244 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.122 CA :: 45.613 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.325 HA2 :: 3.859 HA3 :: 3.859 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.251 Ave N Shift Values>> N :: 109.67(3.87) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.25 R 0.23 K 0.17 M 0.02 C Shift Assignments>> C :: 176.442 CA :: 55.986 CB :: 33.063 CD :: 27.317 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.764 HA :: 4.343 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 0.909 HG3 :: 0.909 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.207 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.19 A 0.07 HN Overlap>> 1.F153 1.F153 1.Q137 1.Q137 C Shift Assignments>> C :: 175.300 CA :: 52.975 CB :: 41.704 CD1 :: 23.369 CD2 :: 25.576 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.031 HA :: 4.627 HB2 :: 1.658 HB3 :: 1.658 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.838 Ave N Shift Values>> N :: 121.86(3.9) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.800 CA :: 63.535 CB :: 31.997 CG :: 27.460 CD :: 50.604 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.415 HB2 :: 2.296 HB3 :: 2.296 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.622 HD3 :: 3.852 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.907 CA :: 45.664 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.613 HA2 :: 3.913 HA3 :: 3.934 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.579 Ave N Shift Values>> N :: 109.67(3.87) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.17 C 0.15 R 0.12 H 0.1 Q 0.08 W 0.08 E 0.06 V 0.01 C Shift Assignments>> C :: 175.883 CA :: 56.204 CB :: 32.408 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.147 HA :: 4.283 HB2 :: 1.872 HB3 :: 1.872 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.601 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 Q 0.12 R 0.12 HN Overlap>> 1.I103 1.I103 C Shift Assignments>> C :: 175.883 CA :: 55.778 CB :: 33.441 CG :: 25.708 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.878 HA :: 4.357 HB2 :: 1.672 HB3 :: 1.672 HG2 :: 0.848 HG3 :: 0.848 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.065 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.16 K 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 174.100 CA :: 52.538 CB :: 41.804 CD1 :: 26.038 CD2 :: 24.274 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.283 HA :: 4.184 HB2 :: 0.958 HB3 :: 1.670 HG :: 1.495 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.400 Ave N Shift Values>> N :: 121.86(3.9) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 177.344 CA :: 62.219 CB :: 32.372 CG :: 26.839 CD :: 50.479 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.285 HB2 :: 1.611 HB3 :: 2.188 HG2 :: 1.313 HG3 :: 1.029 HD2 :: 3.995 HD3 :: 4.115 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 C Shift Assignments>> C :: 178.547 CA :: 58.258 CB :: 41.715 CG :: 26.748 CD1 :: 23.934 CD2 :: 24.544 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.600 HA :: 3.889 HB2 :: 1.580 HB3 :: 1.623 HG :: 1.600 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.584 Ave N Shift Values>> N :: 121.86(3.9) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.27 E 0.26 K 0.06 Q 0.02 C Shift Assignments>> C :: 179.363 CA :: 60.023 CB :: 28.732 CG :: 36.233 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.424 HA :: 3.871 HB2 :: 1.926 HB3 :: 1.883 HG2 :: 2.258 HG3 :: 2.258 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.481 Ave N Shift Values>> N :: 120.67(3.48) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.829 CA :: 65.649 CB :: 31.096 CG1 :: 21.442 CG2 :: 23.650 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.175 HA :: 3.448 HB :: 1.924 HG11 :: 0.768 HG12 :: 0.768 HG13 :: 0.768 HG21 :: 0.516 HG22 :: 0.516 HG23 :: 0.516 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.152 Ave N Shift Values>> N :: 121.14(4.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.48 C Shift Assignments>> C :: 179.879 CA :: 58.713 CB :: 40.704 CD1 :: 24.039 CD2 :: 25.345 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.114 HA :: 3.795 HB2 :: 1.581 HB3 :: 1.825 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.747 Ave N Shift Values>> N :: 121.86(3.9) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.33 R 0.13 V 0.01 C Shift Assignments>> C :: 179.664 CA :: 59.173 CB :: 31.573 CG :: 25.270 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.519 HA :: 3.983 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.403 HG3 :: 1.547 HE2 :: 2.944 HE3 :: 2.944 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.338 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 E 0.12 I 0.1 K 0.1 H 0.08 Q 0.08 R 0.08 V 0.02 M 0.01 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> C :: 178.633 CA :: 59.568 CB :: 29.367 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.561 HA :: 4.176 HB2 :: 2.157 HB3 :: 2.053 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.948 Ave N Shift Values>> N :: 120.67(3.48) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 C Shift Assignments>> C :: 179.320 CA :: 59.222 CB :: 33.128 CG :: 33.597 CE :: 17.103 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.272 HA :: 4.059 HB2 :: 2.388 HB3 :: 2.737 HG2 :: 1.952 HG3 :: 2.145 HE1 :: 1.874 HE2 :: 1.874 HE3 :: 1.874 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.577 Ave N Shift Values>> N :: 120.09(3.57) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.28 E 0.26 K 0.03 C Shift Assignments>> C :: 178.246 CA :: 60.178 CB :: 29.393 CG :: 36.787 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.503 HA :: 3.765 HB2 :: 2.139 HB3 :: 2.139 HG2 :: 2.144 HG3 :: 2.476 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.140 Ave N Shift Values>> N :: 120.67(3.48) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 HN Overlap>> 1.E6 1.K156 1.L25 1.E6 1.K156 1.L25 C Shift Assignments>> C :: 180.824 CA :: 55.390 CB :: 17.771 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.284 HA :: 4.056 HB1 :: 1.536 HB2 :: 1.536 HB3 :: 1.536 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.003 Ave N Shift Values>> N :: 123.23(3.54) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 Y 0.19 N 0.18 F 0.15 E 0.1 D 0.06 M 0.03 I 0.03 L 0.02 C Shift Assignments>> C :: 178.117 CA :: 55.700 CB :: 37.826 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.414 HA :: 4.405 HB2 :: 2.779 HB3 :: 2.981 HD21 :: 7.193 HD22 :: 7.743 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.382 ND2 :: 112.159 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.31 I 0.03 C 0.02 C Shift Assignments>> C :: 179.277 CA :: 55.099 CB :: 17.541 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.008 HA :: 3.923 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.939 Ave N Shift Values>> N :: 123.23(3.54) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.06 K 0.04 HN Overlap>> 1.N8 1.N8 1.N7 1.N12 1.N7 1.N12 C Shift Assignments>> C :: 181.211 CA :: 59.342 CB :: 29.825 CG :: 27.583 CD :: 43.270 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.417 HA :: 4.262 HB2 :: 1.934 HB3 :: 1.934 HG2 :: 1.763 HG3 :: 1.763 HD2 :: 3.216 HD3 :: 3.216 HE :: 7.458 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.831 NE :: 84.312 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.39 R 0.13 C Shift Assignments>> C :: 177.645 CA :: 59.196 CB :: 32.207 CG :: 25.576 CE :: 42.095 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.309 HA :: 4.032 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 1.489 HG3 :: 1.489 HE2 :: 2.947 HE3 :: 2.947 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.047 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 176.657 CA :: 52.547 CB :: 18.677 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.304 HA :: 4.261 HB1 :: 1.573 HB2 :: 1.573 HB3 :: 1.573 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.554 Ave N Shift Values>> N :: 123.23(3.54) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.540 CA :: 44.474 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.739 HA2 :: 3.648 HA3 :: 4.323 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.163 Ave N Shift Values>> N :: 109.67(3.87) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 N 0.09 F 0.07 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 174.380 CA :: 53.900 CB :: 41.505 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.135 HA :: 4.796 HB2 :: 2.457 HB3 :: 2.457 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.767 Ave N Shift Values>> N :: 120.17(4.64) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 175.153 CA :: 59.404 CB :: 70.987 CG2 :: 22.438 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.788 HA :: 4.503 HB :: 4.594 HG21 :: 1.304 HG22 :: 1.304 HG23 :: 1.304 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.366 Ave N Shift Values>> N :: 115.42(4.75) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.27 K 0.1 G 0.07 I 0.05 C Shift Assignments>> C :: 177.903 CA :: 60.335 CB :: 29.470 CD :: 43.226 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.094 HA :: 3.651 HB2 :: 1.765 HB3 :: 1.880 HD2 :: 3.218 HD3 :: 3.218 HE :: 7.545 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.872 NE :: 84.304 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 177.301 CA :: 47.003 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.667 HA2 :: 3.644 HA3 :: 3.864 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.126 Ave N Shift Values>> N :: 109.67(3.87) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.25 C 0.19 I 0.17 E 0.02 D 0.01 L 0.01 C Shift Assignments>> C :: 174.809 CA :: 58.635 CB :: 38.628 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.525 HA :: 4.197 HB2 :: 2.640 HB3 :: 3.026 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.484 Ave N Shift Values>> N :: 120.17(4.64) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.45 C Shift Assignments>> C :: 179.406 CA :: 58.152 CB :: 40.738 CG :: 26.488 CD1 :: 25.207 CD2 :: 22.803 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.738 HA :: 3.618 HB2 :: 0.514 HB3 :: 1.265 HG :: 1.451 HD11 :: 0.332 HD12 :: 0.332 HD13 :: 0.332 HD21 :: 0.558 HD22 :: 0.558 HD23 :: 0.558 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.110 Ave N Shift Values>> N :: 121.86(3.9) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.160 CA :: 65.396 CB :: 38.356 CG1 :: 29.403 CG2 :: 17.245 CD1 :: 13.862 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.618 HA :: 3.482 HB :: 1.668 HG12 :: 0.975 HG13 :: 1.672 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.267 Ave N Shift Values>> N :: 121.46(4.28) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 Y 0.22 F 0.21 C 0.16 C Shift Assignments>> C :: 178.848 CA :: 60.959 CB :: 39.266 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.367 HA :: 4.220 HB2 :: 3.190 HB3 :: 3.280 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.656 Ave N Shift Values>> N :: 120.17(4.64) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.42 R 0.05 C Shift Assignments>> C :: 179.836 CA :: 57.380 CB :: 41.820 CG :: 25.969 CD1 :: 26.516 CD2 :: 22.853 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.970 HA :: 4.124 HB2 :: 1.573 HB3 :: 1.902 HG :: 2.068 HD11 :: 0.461 HD12 :: 0.461 HD13 :: 0.461 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.239 Ave N Shift Values>> N :: 121.86(3.9) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.380 CA :: 60.659 CB :: 63.203 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.017 HA :: 4.255 HB2 :: 3.947 HB3 :: 4.135 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.135 Ave N Shift Values>> N :: 116.28(3.52) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.35 C 0.24 HN Overlap>> 1.L130 1.L130 C Shift Assignments>> C :: 173.993 CA :: 54.719 CB :: 29.233 CD2 :: 119.111 CE1 :: 136.005 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.581 HA :: 4.877 HB2 :: 3.143 HB3 :: 3.606 HD2 :: 7.291 HE1 :: 8.595 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.209 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 175.669 CA :: 63.991 CB :: 37.795 CG1 :: 29.345 CG2 :: 16.533 CD1 :: 14.164 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.181 HA :: 3.705 HB :: 1.894 HG12 :: 1.016 HG13 :: 1.939 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.399 Ave N Shift Values>> N :: 121.46(4.28) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.46 R 0.01 C Shift Assignments>> C :: 175.669 CA :: 54.486 CB :: 35.231 CD :: 29.154 CE :: 41.725 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.984 HA :: 4.588 HB2 :: 1.657 HB3 :: 1.657 HD2 :: 1.540 HD3 :: 1.540 HE2 :: 3.002 HE3 :: 3.002 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.398 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 C 0.06 F 0.01 R 0.01 C Shift Assignments>> C :: 174.680 CA :: 56.257 CB :: 45.762 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.682 HA :: 5.453 HB2 :: 2.876 HB3 :: 3.560 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.514 Ave N Shift Values>> N :: 120.17(4.64) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.41 S 0.02 HN Overlap>> 1.C125 1.C125 C Shift Assignments>> C :: 173.134 CA :: 59.808 CB :: 68.114 CG2 :: 22.890 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.103 HA :: 4.704 HB :: 4.873 HG1 :: 6.047 HG21 :: 1.448 HG22 :: 1.448 HG23 :: 1.448 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.060 Ave N Shift Values>> N :: 115.42(4.75) 1.P69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 179.664 CA :: 66.578 CB :: 31.681 CD :: 49.728 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.190 HB2 :: 1.954 HB3 :: 1.954 HD2 :: 2.335(S) HD3 :: 2.903 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 K 0.19 G 0.01 C Shift Assignments>> C :: 178.805 CA :: 59.598 CB :: 31.451 CG :: 22.748 CE :: 42.164 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.596 HA :: 4.320 HG2 :: 1.431 HG3 :: 1.431 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.284 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> C :: 176.829 CA :: 59.599 CB :: 33.465 CG :: 31.846 CE :: 16.982 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.789 HA :: 3.949 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 2.624 HG3 :: 2.988 HE1 :: 2.362 HE2 :: 2.362 HE3 :: 2.362 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.242 Ave N Shift Values>> N :: 120.09(3.57) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.34 C Shift Assignments>> C :: 177.516 CA :: 59.725 CB :: 32.096 CG :: 26.344 CD :: 28.720 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.338 HA :: 3.620 HB2 :: 1.788 HB3 :: 1.788 HG2 :: 1.342 HG3 :: 1.465 HD2 :: 1.934 HD3 :: 2.001 HE2 :: 2.887 HE3 :: 2.887 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.525 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 177.774 CA :: 58.280 CB :: 33.254 CG :: 24.345 CD :: 29.065 CE :: 41.956 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.417 HA :: 3.887 HB2 :: 1.445 HB3 :: 1.559 HG2 :: 0.342(S) HG3 :: 0.825 HD2 :: 1.328 HD3 :: 1.328 HE2 :: 2.681 HE3 :: 2.681 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.526 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.22 C Shift Assignments>> C :: 176.871 CA :: 60.933 CB :: 41.045 CD1 :: 131.799 CD2 :: 131.799 CE1 :: 131.121 CE2 :: 131.121 CZ :: 129.751 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.874 HA :: 4.569 HB2 :: 2.840 HB3 :: 3.267 HD1 :: 7.570 HD2 :: 7.570 HE1 :: 7.394 HE2 :: 7.394 HZ :: 7.324 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.315 Ave N Shift Values>> N :: 120.45(4.18) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 A 0.01 HN Overlap>> 1.K107 1.K107 C Shift Assignments>> C :: 172.575 CA :: 58.850 CB :: 38.632 CG2 :: 19.031 CD1 :: 14.900 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.860 HA :: 4.762 HB :: 1.821 HG12 :: 2.017 HG13 :: 2.017 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.690 Ave N Shift Values>> N :: 121.46(4.28) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 179.363 CA :: 65.266 CB :: 30.529 CG :: 27.323 CD :: 50.398 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.869 HB2 :: 2.439 HB3 :: 2.439 HG2 :: 1.761 HG3 :: 1.895 HD2 :: 2.987 HD3 :: 3.360 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.692 CA :: 46.072 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.605 HA2 :: 3.647 HA3 :: 3.734 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.917 Ave N Shift Values>> N :: 109.67(3.87) 1.R78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 R 0.25 K 0.25 G 0.02 C Shift Assignments>> C :: 175.411 CA :: 54.070 CB :: 29.395 CG :: 29.277 CD :: 42.336 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.748 HA :: 4.353 HB2 :: 1.421 HB3 :: 0.846 HG2 :: 1.191 HG3 :: 1.191 HD2 :: 1.980(S) HD3 :: 2.410 HE :: 6.729 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.144 NE :: 86.140 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.26 D 0.15 K 0.05 G 0.05 F 0.04 C 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.840 CA :: 54.337 CB :: 43.228 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.091 HA :: 4.900 HB2 :: 2.697 HB3 :: 3.380 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.199 Ave N Shift Values>> N :: 120.17(4.64) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.31 C 0.31 C Shift Assignments>> C :: 175.540 CA :: 58.102 CB :: 27.943 CD2 :: 120.782 CE1 :: 136.914 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.370 HA :: 4.520 HB2 :: 3.142 HB3 :: 3.227 HD2 :: 7.362 HE1 :: 8.627 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.111 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.564 CA :: 60.927 CB :: 70.568 CG2 :: 21.467 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.391 HA :: 4.500 HB :: 4.285 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.828 Ave N Shift Values>> N :: 115.42(4.75) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.540 CA :: 58.200 CB :: 39.235 CD1 :: 133.123 CD2 :: 133.123 CE1 :: 118.026 CE2 :: 118.026 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.563 HA :: 4.594 HB2 :: 2.941 HB3 :: 3.045 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.771 HE2 :: 6.771 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.032 Ave N Shift Values>> N :: 120.52(4.2) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.1 Q 0.07 K 0.07 I 0.02 C Shift Assignments>> C :: 176.571 CA :: 56.767 CB :: 30.265 CG :: 36.076 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.503 HA :: 4.232 HB2 :: 1.885 HB3 :: 2.023 HG2 :: 2.219 HG3 :: 2.219 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.142 Ave N Shift Values>> N :: 120.67(3.48) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.900 CA :: 45.565 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.880 HA2 :: 3.858 HA3 :: 3.858 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.326 Ave N Shift Values>> N :: 109.67(3.87) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.1 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.R29 1.R29 C Shift Assignments>> C :: 176.442 CA :: 54.419 CB :: 41.118 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.201 HA :: 4.588 HB2 :: 2.665 HB3 :: 2.665 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.491 Ave N Shift Values>> N :: 120.65(3.86) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 M 0.18 C 0.16 Q 0.14 R 0.09 H 0.08 W 0.06 E 0.04 V 0.02 HN Overlap>> 1.V161 1.L133 1.V161 1.L133 C Shift Assignments>> C :: 176.871 CA :: 56.535 CB :: 32.880 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.209 HA :: 4.258 HB2 :: 1.790 HB3 :: 1.790 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.182 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 K 0.08 Q 0.07 M 0.07 I 0.03 C Shift Assignments>> C :: 176.871 CA :: 56.790 CB :: 29.956 CG :: 36.138 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.430 HA :: 4.231 HB2 :: 1.939 HB3 :: 2.030 HG2 :: 2.252 HG3 :: 2.252 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.121 Ave N Shift Values>> N :: 120.67(3.48) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.595 CA :: 58.534 CB :: 63.832 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.234 HA :: 4.383 HB2 :: 3.848 HB3 :: 3.848 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.228 Ave N Shift Values>> N :: 116.28(3.52) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 HN Overlap>> 1.A96 1.A96 C Shift Assignments>> C :: 177.903 CA :: 52.685 CB :: 19.183 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.287 HA :: 4.317 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.654 Ave N Shift Values>> N :: 123.23(3.54) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.24 E 0.07 M 0.06 R 0.03 C Shift Assignments>> C :: 176.614 CA :: 56.008 CB :: 29.353 CG :: 33.822 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.279 HA :: 4.304 HB2 :: 1.973 HB3 :: 1.973 HG2 :: 2.341 HG3 :: 2.341 HE21 :: 7.520 HE22 :: 6.846 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.692 NE2 :: 112.438 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.600 CA :: 45.284 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.356 HA2 :: 3.936 HA3 :: 3.936 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.626 Ave N Shift Values>> N :: 109.67(3.87) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G169 1.G169 C Shift Assignments>> C :: 174.294 CA :: 45.277 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.239 HA2 :: 3.937 HA3 :: 3.937 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.663 Ave N Shift Values>> N :: 109.67(3.87) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.871 CA :: 61.376 CB :: 38.674 CG1 :: 27.321 CG2 :: 17.500 CD1 :: 13.000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.047 HA :: 4.154 HB :: 1.864 HG12 :: 1.165 HG13 :: 1.430 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.579 Ave N Shift Values>> N :: 121.46(4.28) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.907 CA :: 45.274 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.476 HA2 :: 3.931 HA3 :: 3.931 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.402 Ave N Shift Values>> N :: 109.67(3.87) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 M 0.11 Q 0.07 K 0.07 I 0.02 C Shift Assignments>> C :: 175.969 CA :: 56.308 CB :: 30.264 CG :: 36.098 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.159 HA :: 4.275 HB2 :: 2.023 HB3 :: 2.023 HG2 :: 2.221 HG3 :: 2.221 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.631 Ave N Shift Values>> N :: 120.67(3.48) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 177.387 CA :: 52.268 CB :: 19.148 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.289 HA :: 4.351 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.594 Ave N Shift Values>> N :: 123.23(3.54) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.L133 1.L133 C Shift Assignments>> C :: 175.540 CA :: 60.802 CB :: 38.649 CG2 :: 17.500 CD1 :: 13.000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.223 HA :: 4.152 HB :: 1.835 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 121.46(4.28) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.Q158 1.Q158 C Shift Assignments>> C :: 174.122 CA :: 62.367 CB :: 33.129 CG1 :: 21.403 CG2 :: 20.841 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.322 HA :: 4.169 HB :: 2.054 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.228 Ave N Shift Values>> N :: 121.14(4.54) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.27 R 0.12 D 0.08 C 0.04 F 0.01 C Shift Assignments>> C :: 174.380 CA :: 52.836 CB :: 44.204 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.089 HA :: 4.964 HB2 :: 2.492 HB3 :: 2.492 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.596 Ave N Shift Values>> N :: 120.65(3.86) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 A 0.01 C Shift Assignments>> C :: 173.349 CA :: 58.264 CB :: 38.305 CG1 :: 26.497 CG2 :: 17.106 CD1 :: 12.799 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.172 HA :: 4.147 HB :: 0.826 HG12 :: 0.547 HG13 :: 0.458 HG21 :: 0.571 HG22 :: 0.571 HG23 :: 0.571 HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.975 Ave N Shift Values>> N :: 121.46(4.28) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.000 CA :: 64.502 CB :: 31.912 CG :: 27.067 CD :: 50.698 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.285 HB2 :: 2.296 HB3 :: 2.296 HG2 :: 1.865 HG3 :: 1.910 HD2 :: 3.355 HD3 :: 3.706 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.02 L 0.01 C Shift Assignments>> C :: 177.258 CA :: 53.342 CB :: 19.335 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.685 HA :: 4.124 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.491 Ave N Shift Values>> N :: 123.23(3.54) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.46 A 0.02 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 173.091 CA :: 58.079 CB :: 39.596 CG1 :: 27.184 CG2 :: 17.621 CD1 :: 14.757 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.951 HA :: 4.518 HB :: 1.909 HG12 :: 0.991 HG13 :: 1.343 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.003 Ave N Shift Values>> N :: 121.46(4.28) 1.P104 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.79 P 0.19 C Shift Assignments>> C :: 176.871 CA :: 64.309 CB :: 29.325 CG :: 29.354 CD :: 51.246 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.286 HD2 :: 3.715 HD3 :: 4.029 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CB > CG : 0.9931) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 L 0.13 G 0.06 K 0.03 C Shift Assignments>> C :: 176.571 CA :: 56.864 CB :: 28.161 CG :: 27.575 CD :: 43.306 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.855 HA :: 4.038 HB2 :: 1.541 HB3 :: 1.541 HG2 :: 2.025 HG3 :: 2.025 HD2 :: 3.209 HD3 :: 3.209 HE :: 7.205 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.407 NE :: 84.312 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.2 C Shift Assignments>> C :: 177.989 CA :: 62.956 CB :: 39.949 CD1 :: 131.350 CD2 :: 131.350 CE1 :: 131.350 CE2 :: 131.350 CZ :: 129.115 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.691 HA :: 3.824 HB2 :: 3.712 HB3 :: 3.086 HD1 :: 7.240 HD2 :: 7.240 HE1 :: 7.300 HE2 :: 7.300 HZ :: 6.960 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.822 Ave N Shift Values>> N :: 120.45(4.18) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 K 0.11 HN Overlap>> 1.I75 1.I75 C Shift Assignments>> C :: 176.700 CA :: 59.123 CB :: 31.701 CG :: 24.468 CD :: 31.542 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.960 HA :: 3.708 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.483 HG3 :: 1.586 HD2 :: 1.830 HD3 :: 1.830 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.671 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.23 K 0.16 R 0.11 F 0.06 Y 0.04 C 0.04 N 0.03 C Shift Assignments>> C :: 176.141 CA :: 54.456 CB :: 42.225 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.925 HA :: 4.612 HB2 :: 2.504 HB3 :: 2.846 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.065 Ave N Shift Values>> N :: 120.65(3.86) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 C 0.32 L 0.23 R 0.01 C Shift Assignments>> C :: 176.614 CA :: 54.689 CB :: 41.791 CG :: 25.479 CD1 :: 21.200 CD2 :: 25.514 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.143 HA :: 4.175 HB2 :: 1.906 HB3 :: 1.906 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 HD21 :: 0.745 HD22 :: 0.745 HD23 :: 0.745 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.067 Ave N Shift Values>> N :: 121.86(3.9) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 K 0.11 Q 0.09 I 0.05 R 0.01 HN Overlap>> 1.I116 1.I116 C Shift Assignments>> C :: 175.540 CA :: 55.307 CB :: 27.907 CG :: 36.194 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.741 HA :: 4.272 HB2 :: 1.719 HB3 :: 2.243 HG2 :: 2.388 HG3 :: 2.299 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.784 Ave N Shift Values>> N :: 120.67(3.48) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.3 G 0.01 C Shift Assignments>> C :: 177.903 CA :: 66.826 CB :: 32.828 CD :: 49.487 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.053 HB2 :: 2.022 HB3 :: 2.022 HG2 :: 1.659 HG3 :: 2.018 HD2 :: 3.569 HD3 :: 3.732 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.44 A 0.04 C Shift Assignments>> C :: 178.848 CA :: 56.956 CB :: 30.838 CG :: 32.949 CE :: 16.906 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.984 HA :: 4.552 HB2 :: 2.062 HB3 :: 2.138 HG2 :: 2.733 HG3 :: 2.733 HE1 :: 2.057 HE2 :: 2.057 HE3 :: 2.057 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 113.930 Ave N Shift Values>> N :: 120.09(3.57) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.22 K 0.19 M 0.12 E 0.02 R 0.01 C Shift Assignments>> C :: 179.406 CA :: 59.197 CB :: 30.293 CG :: 33.075 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.020 HA :: 4.073 HB2 :: 2.449 HB3 :: 2.449 HG2 :: 2.395 HG3 :: 2.734 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.112 Ave N Shift Values>> N :: 120.67(3.48) 1.Q114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 E 0.32 I 0.1 K 0.04 Q 0.04 M 0.04 HN Overlap>> 1.K143 1.K143 C Shift Assignments>> C :: 179.106 CA :: 59.984 CB :: 30.274 CG :: 35.848 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.258 HA :: 3.858 HB2 :: 2.700 HB3 :: 2.700 HG2 :: 1.186(S) HG3 :: 1.186(S) HE21 :: 6.684 HE22 :: 6.793 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.900 NE2 :: 111.174 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 176.442 CA :: 62.146 CB :: 39.585 CD1 :: 131.204 CD2 :: 131.204 CE1 :: 131.262 CE2 :: 131.262 CZ :: 129.997 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.688 HA :: 4.248 HB2 :: 3.043 HB3 :: 3.565 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 7.148 HE2 :: 7.148 HZ :: 6.438 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.122 Ave N Shift Values>> N :: 120.45(4.18) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 177.258 CA :: 63.858 CB :: 37.817 CG1 :: 28.873 CG2 :: 17.490 CD1 :: 12.010 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.750 HA :: 3.400 HB :: 1.910 HG12 :: 1.474 HG13 :: 1.825 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.881 Ave N Shift Values>> N :: 121.46(4.28) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.36 C 0.03 I 0.02 HN Overlap>> 1.D120 1.D120 C Shift Assignments>> C :: 180.351 CA :: 54.838 CB :: 18.833 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.617 HA :: 4.171 HB1 :: 1.562 HB2 :: 1.562 HB3 :: 1.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.975 Ave N Shift Values>> N :: 123.23(3.54) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.29 M 0.09 I 0.04 C Shift Assignments>> C :: 178.633 CA :: 59.583 CB :: 31.697 CG :: 36.763 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.984 HA :: 3.994 HB2 :: 2.164 HB3 :: 2.164 HG2 :: 1.916 HG3 :: 2.987 HE21 :: 8.386 HE22 :: 6.870 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.205 NE2 :: 109.433 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 179.707 CA :: 67.353 CB :: 30.988 CG1 :: 23.514 CG2 :: 22.171 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.871 HA :: 3.137 HB :: 2.061 HG11 :: 0.457 HG12 :: 0.457 HG13 :: 0.457 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.152 Ave N Shift Values>> N :: 121.14(4.54) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.2 Y 0.19 L 0.13 C 0.1 N 0.1 I 0.02 K 0.01 HN Overlap>> 1.A117 1.A17 1.A117 1.A17 C Shift Assignments>> C :: 177.645 CA :: 55.946 CB :: 39.905 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.618 HA :: 4.231 HB2 :: 2.608 HB3 :: 2.692 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.042 Ave N Shift Values>> N :: 120.65(3.86) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.35 A 0.06 R 0.02 C Shift Assignments>> C :: 178.891 CA :: 55.801 CB :: 41.851 CG :: 26.160 CD1 :: 22.379 CD2 :: 25.370 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.034 HA :: 4.227 HB2 :: 1.566 HB3 :: 1.920 HG :: 1.940 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.993 Ave N Shift Values>> N :: 121.86(3.9) 1.C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 M 0.21 N 0.2 Q 0.07 K 0.05 E 0.05 Y 0.01 P 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 176.958 CA :: 51.652 CB :: 35.270 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.916 HA :: 5.195 HB2 :: 3.144 HB3 :: 3.371 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.755 Ave N Shift Values>> N :: 120.17(4.64) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.313 CA :: 64.050 CB :: 31.510 CG1 :: 21.635 CG2 :: 18.825 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.545 HA :: 3.960 HB :: 2.269 HG11 :: 1.029 HG12 :: 1.029 HG13 :: 1.029 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.572 Ave N Shift Values>> N :: 121.14(4.54) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.15 F 0.1 Y 0.07 N 0.05 C 0.05 R 0.03 C Shift Assignments>> C :: 177.559 CA :: 54.822 CB :: 41.468 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.562 HA :: 4.569 HB2 :: 2.155 HB3 :: 2.556 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.252 Ave N Shift Values>> N :: 120.65(3.86) 1.C125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.19 L 0.18 F 0.08 Y 0.06 C 0.05 K 0.05 HN Overlap>> 1.T68 1.T68 C Shift Assignments>> C :: 173.607 CA :: 53.574 CB :: 40.772 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.051 HA :: 4.807 HB2 :: 2.600 HB3 :: 3.245 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.098 Ave N Shift Values>> N :: 120.17(4.64) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.34 C Shift Assignments>> C :: 175.583 CA :: 59.390 CB :: 70.940 CG2 :: 22.583 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.570 HA :: 4.634 HB :: 4.695 HG1 :: 5.550 HG21 :: 1.321 HG22 :: 1.321 HG23 :: 1.321 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.007 Ave N Shift Values>> N :: 115.42(4.75) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 177.387 CA :: 66.110 CB :: 68.410 CG2 :: 22.260 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.959 HA :: 3.877 HB :: 4.103 HG21 :: 1.282 HG22 :: 1.282 HG23 :: 1.282 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.566 Ave N Shift Values>> N :: 115.42(4.75) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 176.485 CA :: 47.104 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.586 HA2 :: 3.745 HA3 :: 3.923 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.683 Ave N Shift Values>> N :: 109.67(3.87) 1.C129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.17 L 0.02 D 0.02 E 0.01 C Shift Assignments>> C :: 175.239 CA :: 58.701 CB :: 39.066 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.713 HA :: 4.183 HB2 :: 2.668 HB3 :: 3.053 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.104 Ave N Shift Values>> N :: 120.17(4.64) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.42 HN Overlap>> 1.H64 1.H64 C Shift Assignments>> C :: 180.480 CA :: 58.062 CB :: 40.747 CD1 :: 22.800 CD2 :: 25.500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.599 HA :: 3.604 HB2 :: 1.816 HB3 :: 1.358 HG :: 1.591 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.106 Ave N Shift Values>> N :: 121.86(3.9) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.35 R 0.11 Q 0.03 V 0.01 C Shift Assignments>> C :: 179.406 CA :: 59.190 CB :: 32.480 CG :: 25.446 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.275 HA :: 4.040 HB2 :: 1.833 HB3 :: 1.833 HG2 :: 1.584 HG3 :: 1.462 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.419 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 176.500 CA :: 46.468 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.072 HA2 :: 3.946 HA3 :: 3.540 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.763 Ave N Shift Values>> N :: 109.67(3.87) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.35 R 0.09 G 0.02 A 0.01 HN Overlap>> 1.K86 1.I97 1.V161 1.K86 1.I97 1.V161 C Shift Assignments>> C :: 177.387 CA :: 56.900 CB :: 42.606 CG :: 26.210 CD1 :: 26.319 CD2 :: 22.481 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.179 HA :: 3.985 HB2 :: 1.605 HB3 :: 1.070 HG :: 1.738 HD11 :: 0.254 HD12 :: 0.254 HD13 :: 0.254 HD21 :: 0.587 HD22 :: 0.587 HD23 :: 0.587 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.160 Ave N Shift Values>> N :: 121.86(3.9) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.1 C 0.02 L 0.01 C Shift Assignments>> C :: 177.559 CA :: 53.232 CB :: 19.577 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.199 HA :: 4.300 HB1 :: 1.571 HB2 :: 1.571 HB3 :: 1.571 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.376 Ave N Shift Values>> N :: 123.23(3.54) 1.N135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.3 L 0.1 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 174.509 CA :: 52.365 CB :: 40.002 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.555 HA :: 4.940 HB2 :: 2.670 HB3 :: 2.793 HD21 :: 7.645 HD22 :: 6.949 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.368 ND2 :: 113.570 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.411 CA :: 63.124 CB :: 32.335 CG1 :: 21.272 CG2 :: 21.410 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.590 HA :: 3.930 HB :: 1.981 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.597 Ave N Shift Values>> N :: 121.14(4.54) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 P 0.2 I 0.16 L 0.14 C 0.08 Q 0.06 W 0.03 H 0.03 K 0.02 E 0.02 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> CB :: 27.240 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.035 HA :: 4.153 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.875 NE2 :: 114.551 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.23 K 0.22 R 0.15 D 0.11 F 0.11 Y 0.08 C 0.05 C Shift Assignments>> C :: 173.263 CA :: 56.490 CB :: 42.283 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.540 HB2 :: 3.180 HB3 :: 2.810 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.208 CA :: 56.614 CB :: 65.118 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.287 HA :: 4.404 HB2 :: 3.957 HB3 :: 4.263 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.549 Ave N Shift Values>> N :: 116.28(3.52) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.1 L 0.07 D 0.05 K 0.03 C Shift Assignments>> C :: 178.504 CA :: 58.374 CB :: 40.243 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.980 HA :: 4.305 HB2 :: 2.639 HB3 :: 2.639 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.396 Ave N Shift Values>> N :: 120.65(3.86) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.36 C Shift Assignments>> C :: 178.762 CA :: 58.218 CB :: 41.898 CD1 :: 25.116 CD2 :: 24.192 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.391 HA :: 4.228 HB2 :: 1.569 HB3 :: 1.569 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 HD21 :: 0.994 HD22 :: 0.994 HD23 :: 0.994 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.182 Ave N Shift Values>> N :: 121.86(3.9) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.32 R 0.1 C Shift Assignments>> C :: 178.504 CA :: 57.672 CB :: 41.509 CG :: 28.534 CD1 :: 24.300 CD2 :: 25.660 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.560 HA :: 4.110 HB2 :: 1.731 HB3 :: 1.776 HG :: 1.800 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.950 HD22 :: 0.950 HD23 :: 0.950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.363 Ave N Shift Values>> N :: 121.86(3.9) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.05 HN Overlap>> 1.Q114 1.Q114 C Shift Assignments>> C :: 177.301 CA :: 59.732 CB :: 32.636 CG :: 24.536 CD :: 29.248 CE :: 41.968 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.349 HA :: 3.749 HB2 :: 1.813 HB3 :: 1.813 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.933 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.45 R 0.08 C Shift Assignments>> C :: 177.602 CA :: 58.274 CB :: 32.567 CG :: 24.529 CD :: 29.242 CE :: 41.976 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.206 HA :: 3.879 HB2 :: 1.676 HB3 :: 1.676 HG2 :: 0.610 HG3 :: 1.038 HD2 :: 1.415 HD3 :: 1.415 HE2 :: 2.673 HE3 :: 2.673 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.914 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 175.067 CA :: 58.920 CB :: 31.874 CD1 :: 127.475 CE3 :: 120.074 CZ2 :: 114.561 CZ3 :: 121.930 CH2 :: 124.559 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.385 HA :: 4.476 HB2 :: 2.821 HB3 :: 3.382 HD1 :: 7.407 HE1 :: 10.473 HE3 :: 7.662 HZ2 :: 7.489 HZ3 :: 7.137 HH2 :: 7.236 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.424 NE1 :: 128.813 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.18 G 0.08 K 0.04 A 0.01 R 0.01 HN Overlap>> 1.A17 1.A17 C Shift Assignments>> C :: 173.778 CA :: 52.068 CB :: 42.696 CD1 :: 26.572 CD2 :: 24.540 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.520 HA :: 4.921 HB2 :: 1.575 HB3 :: 1.703 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.162 Ave N Shift Values>> N :: 121.86(3.9) 1.P147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.06 R 0.04 K 0.01 C Shift Assignments>> C :: 179.100 CB :: 32.024 CG :: 27.479 CD :: 50.604 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 1.918 HB3 :: 2.302 HD2 :: 3.232 HD3 :: 3.609 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.18 K 0.16 M 0.14 V 0.06 E 0.06 R 0.03 H 0.03 W 0.03 Y 0.01 I 0.01 C Shift Assignments>> CA :: 58.276 CG :: 34.144 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.130 HA :: 4.190 HB2 :: 2.071 HB3 :: 2.071 HG2 :: 2.332 HG3 :: 2.424 HE21 :: 6.892 HE22 :: 7.578 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.170 NE2 :: 112.236 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 K 0.1 M 0.01 C Shift Assignments>> C :: 177.559 CA :: 56.399 CB :: 30.107 CG :: 27.343 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.059 HA :: 4.339 HB2 :: 1.777 HB3 :: 1.777 HG2 :: 1.563 HG3 :: 1.563 HD2 :: 3.170 HD3 :: 3.170 HE :: 7.616 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.093 NE :: 84.312 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.12 F 0.12 Y 0.1 C 0.06 K 0.06 C Shift Assignments>> C :: 174.809 CA :: 54.749 CB :: 40.667 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.038 HA :: 4.893 HB2 :: 2.771 HB3 :: 3.175 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.966 Ave N Shift Values>> N :: 120.17(4.64) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 178.160 CA :: 53.939 CB :: 19.203 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.032 HA :: 4.309 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.820 Ave N Shift Values>> N :: 123.23(3.54) 1.T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.637 CA :: 62.200 CB :: 69.615 CG2 :: 21.713 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.031 HA :: 4.240 HB :: 4.219 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.943 Ave N Shift Values>> N :: 115.42(4.75) 1.F153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.35 C 0.21 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 175.239 CA :: 58.174 CB :: 39.608 CD1 :: 131.457 CD2 :: 131.457 CE1 :: 129.604 CE2 :: 129.604 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.016 HA :: 4.512 HB2 :: 3.042 HB3 :: 3.103 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 7.257 HE2 :: 7.257 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.728 Ave N Shift Values>> N :: 120.45(4.18) 1.A154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 177.172 CA :: 52.405 CB :: 19.277 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.052 HA :: 4.242 HB1 :: 1.295 HB2 :: 1.295 HB3 :: 1.295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.112 Ave N Shift Values>> N :: 123.23(3.54) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.600 CA :: 58.533 CB :: 63.701 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.109 HA :: 4.319 HB2 :: 3.846 HB3 :: 3.846 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.273 Ave N Shift Values>> N :: 116.28(3.52) 1.K156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 C 0.26 Q 0.21 M 0.12 R 0.08 HN Overlap>> 1.A47 1.A47 C Shift Assignments>> C :: 176.600 CA :: 56.293 CB :: 32.397 CD :: 29.263 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.322 HA :: 4.300 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.958 HE3 :: 2.958 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.102 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.I164 1.I164 C Shift Assignments>> C :: 176.300 CA :: 61.239 CB :: 38.614 CG1 :: 27.323 CG2 :: 17.500 CD1 :: 12.800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.106 HA :: 4.121 HB :: 1.834 HG12 :: 1.161 HG13 :: 1.161 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.767 Ave N Shift Values>> N :: 121.46(4.28) 1.Q158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.07 R 0.02 HN Overlap>> 1.V98 1.V98 C Shift Assignments>> C :: 176.313 CA :: 56.303 CB :: 29.475 CG :: 33.774 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.427 HA :: 4.277 HG2 :: 2.341 HG3 :: 2.341 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.231 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.864 CA :: 45.351 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.443 HA2 :: 3.920 HA3 :: 3.920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.444 Ave N Shift Values>> N :: 109.67(3.87) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.07 M 0.07 R 0.02 C Shift Assignments>> C :: 176.141 CA :: 55.863 CB :: 29.451 CG :: 33.804 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.208 HA :: 4.345 HB2 :: 1.975 HB3 :: 2.070 HG2 :: 2.329 HG3 :: 2.329 HE21 :: 7.423 HE22 :: 6.803 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.178 NE2 :: 112.089 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.K86 1.K86 1.L133 1.L133 C Shift Assignments>> C :: 175.798 CA :: 62.507 CB :: 32.825 CG1 :: 20.519 CG2 :: 21.182 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.216 HA :: 4.069 HB :: 2.057 HG11 :: 0.909 HG12 :: 0.909 HG13 :: 0.909 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.189 Ave N Shift Values>> N :: 121.14(4.54) 1.D162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.100 CA :: 54.572 CB :: 41.204 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.379 HA :: 4.568 HB2 :: 2.582 HB3 :: 2.665 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.573 Ave N Shift Values>> N :: 120.65(3.86) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.42 R 0.04 Q 0.03 V 0.01 C Shift Assignments>> C :: 176.528 CA :: 56.608 CB :: 32.912 CG :: 24.607 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.202 HA :: 4.260 HG2 :: 1.412 HG3 :: 1.412 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.372 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.I157 1.I157 C Shift Assignments>> C :: 176.399 CA :: 61.221 CB :: 38.589 CG1 :: 27.311 CG2 :: 17.500 CD1 :: 12.600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.102 HA :: 4.088 HB :: 1.834 HG12 :: 1.160 HG13 :: 1.160 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.753 Ave N Shift Values>> N :: 121.46(4.28) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.18 C 0.16 Q 0.14 R 0.09 H 0.08 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 177.086 CA :: 56.612 CB :: 32.932 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.381 HA :: 4.257 HB2 :: 1.770 HB3 :: 1.770 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.333 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.864 CA :: 45.302 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.410 HA2 :: 3.932 HA3 :: 3.932 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.593 Ave N Shift Values>> N :: 109.67(3.87) 1.A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 178.289 CA :: 52.630 CB :: 19.298 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.249 HA :: 4.331 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.848 Ave N Shift Values>> N :: 123.23(3.54) 1.G168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.637 CA :: 45.288 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.470 HA2 :: 3.929 HA3 :: 3.929 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.206 Ave N Shift Values>> N :: 109.67(3.87) 1.G169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G92 1.G92 C Shift Assignments>> C :: 173.821 CA :: 45.303 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.235 HA2 :: 3.936 HA3 :: 3.936 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.619 Ave N Shift Values>> N :: 109.67(3.87) 1.D170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.12 F 0.1 Y 0.08 K 0.07 C 0.06 C Shift Assignments>> CA :: 54.343 CB :: 40.907 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.320 HA :: 4.603 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.478 Ave N Shift Values>> N :: 120.65(3.86) 1.I171 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R174 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 168 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 168 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 173 #Suspicious: 1 C Shift Results: #Consistent: 689 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1088 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 177 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V14 HB = 3.384(A), Expected = 1.98, Std = 0.3200, ChiSquare = 1.1466e-05 1.P69 HD2 = 2.335(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.7186e-04 1.K73 HG2 = 0.342(S), Expected = 1.37, Std = 0.2600, ChiSquare = 7.6905e-05 1.R78 HD2 = 1.980(S), Expected = 3.12, Std = 0.2400, ChiSquare = 2.0342e-06 1.P104 SRO Rule Break>> CB > CG : 0.993121238177128 1.Q114 HG2 = 1.186(S), Expected = 2.32, Std = 0.2700, ChiSquare = 2.6691e-05 1.Q114 HG3 = 1.186(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.4072e-04