Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.5 I 0.35 A 0.13 C Shift Assignments>> CE :: 16.903125 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>> HB2 :: 2.075301 HB3 :: 2.075301 HE1 :: 1.993919 HE2 :: 1.993919 HE3 :: 1.993919 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) 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.904 CB :: 64.069495 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.417 HB2 :: 3.854573 HB3 :: 3.854573 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) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 45.689 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62 HA2 :: 4.064114 HA3 :: 4.064114 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.955 Ave N Shift Values>> N :: 109.67(3.87) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.386 CB :: 64.877115 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.459 HA :: 4.495 HB2 :: 3.968324 HB3 :: 4.177865 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 :: 116.638 Ave N Shift Values>> N :: 116.28(3.52) 1.L11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> L 0.91 R 0.07 C Shift Assignments>> CA :: 58.973 CB :: 41.593787 CG :: 27.364546 CD1 :: 25.610061 CD2 :: 23.688481 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 :: 8.7 HA :: 4.094 HB2 :: 1.781461 HB3 :: 1.726191 HG :: 1.340087 HD11 :: 0.795282 HD12 :: 0.795282 HD13 :: 0.795282 HD21 :: 0.926993 HD22 :: 0.926993 HD23 :: 0.926993 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 :: 104.963(S) Ave N Shift Values>> N :: 121.86(3.9) 1.G12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.886677 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.814 HA2 :: 3.885 HA3 :: 3.441479 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 126.963(S) Ave N Shift Values>> N :: 109.67(3.87) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.24 K 0.15 L 0.13 D 0.08 I 0.06 R 0.01 C Shift Assignments>> CA :: 57.972 CB :: 40.957357 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 :: 8.119 HA :: 4.369 HB2 :: 2.72835 HB3 :: 2.788123 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 :: 125.167 Ave N Shift Values>> N :: 120.65(3.86) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 K 0.27 Q 0.26 I 0.1 M 0.02 R 0.01 C Shift Assignments>> CA :: 59.404 CB :: 29.199459 CG :: 34.85592 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 :: 8.398 HA :: 4.16 HB2 :: 2.265824 HB3 :: 2.160289 HG2 :: 2.315947 HG3 :: 2.531475 HE21 :: 7.217419 HE22 :: 6.979274 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 :: 119.521 NE2 :: 111.419842 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.04 G 0.02 C Shift Assignments>> CA :: 57.722 CB :: 42.402992 CG :: 26.751869 CD1 :: 24.80244 CD2 :: 23.966971 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 :: 9.087 HA :: 3.801 HB2 :: 1.489759 HB3 :: 1.489759 HG :: 1.453838 HD11 :: 0.525873 HD12 :: 0.525873 HD13 :: 0.525873 HD21 :: 0.442057 HD22 :: 0.442057 HD23 :: 0.442057 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 :: 121.234 Ave N Shift Values>> N :: 121.86(3.9) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 68.886 CB :: 67.968351 CG2 :: 20.959282 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 :: 8.188 HA :: 3.513 HB :: 4.33951 HG21 :: 1.052718 HG22 :: 1.052718 HG23 :: 1.052718 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 :: 116.094 Ave N Shift Values>> N :: 115.42(4.75) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.898 CB :: 62.899838 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.801 HA :: 4.154 HB2 :: 3.980298 HB3 :: 3.980298 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 :: 115.044 Ave N Shift Values>> N :: 116.28(3.52) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.747 CB :: 68.80382 CG2 :: 21.098527 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 :: 8.147 HA :: 3.92 HB :: 3.932403 HG21 :: 1.058704 HG22 :: 1.058704 HG23 :: 1.058704 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 :: 119.022 Ave N Shift Values>> N :: 115.42(4.75) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.14 G 0.03 C Shift Assignments>> CA :: 58.265 CB :: 42.597935 CG :: 27.475942 CD1 :: 25.158742 CD2 :: 24.245461 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 :: 8.368 HA :: 3.89 HB2 :: 1.50772 HB3 :: 1.50772 HG :: 1.477785 HD11 :: 0.735618 HD12 :: 0.735618 HD13 :: 0.735618 HD21 :: 0.735413 HD22 :: 0.735413 HD23 :: 0.735413 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 :: 120.609 Ave N Shift Values>> N :: 121.86(3.9) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.21 I 0.06 C Shift Assignments>> CA :: 55.729 CB :: 17.422462 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.755 HA :: 3.816 HB1 :: 1.352061 HB2 :: 1.352061 HB3 :: 1.352061 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.231 Ave N Shift Values>> N :: 123.23(3.54) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.079 CB :: 63.111056 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.318 HA :: 4.052 HB2 :: 4.03418 HB3 :: 3.870382 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 :: 116.251 Ave N Shift Values>> N :: 116.28(3.52) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> CA :: 54.918 CB :: 18.397176 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.943 HA :: 4.166 HB1 :: 1.435877 HB2 :: 1.435877 HB3 :: 1.435877 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.629 Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.12 G 0.02 A 0.01 C Shift Assignments>> CA :: 57.731 CB :: 42.20805 CG :: 26.918963 CD1 :: 25.610061 CD2 :: 22.268184 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 :: 8.083 HA :: 3.885 HB2 :: 1.896866 HB3 :: 1.202389 HG :: 1.968709 HD11 :: 0.735413 HD12 :: 0.735413 HD13 :: 0.735413 HD21 :: 0.699492 HD22 :: 0.699492 HD23 :: 0.699492 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 :: 112.541 Ave N Shift Values>> N :: 121.86(3.9) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.972 CB :: 68.859518 CG2 :: 22.10109 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 :: 8.044 HA :: 3.388 HB :: 4.291615 HG21 :: 1.118573 HG22 :: 1.118573 HG23 :: 1.118573 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 :: 116.527 Ave N Shift Values>> N :: 115.42(4.75) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.38 G 0.01 C Shift Assignments>> CA :: 56.859 CB :: 34.271092 CG :: 25.63791 CD :: 29.592464 CE :: 42.319445 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 :: 6.81 HA :: 4.142 HB2 :: 1.759168 HB3 :: 2.064499 HG2 :: 1.663378 HG3 :: 1.435877 HD2 :: 1.645418 HD3 :: 1.645418 HE2 :: 2.938582 HE3 :: 2.938582 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 :: 115.841 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.656 CB :: 70.16842 CG2 :: 23.966971 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 :: 7.419 HA :: 4.088 HB :: 4.459247 HG21 :: 1.435877 HG22 :: 1.435877 HG23 :: 1.435877 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 :: 108.482 Ave N Shift Values>> N :: 115.42(4.75) 1.N27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.35 F 0.32 I 0.09 D 0.08 L 0.06 N 0.05 E 0.01 C Shift Assignments>> CA :: 57.247 CB :: 39.033266 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 :: 11.715(S) HA :: 4.304 HB2 :: 2.543449 HB3 :: 2.938582 HD21 :: 7.673341 HD22 :: 7.421879 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 :: 126.031 ND2 :: 118.390018 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 68.803478 CB :: 70.16842 CG2 :: 20.346605 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 :: 10.495(S) HA :: 3.723 HB :: 4.459247 HG21 :: 0.998836 HG22 :: 0.998836 HG23 :: 0.998836 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 :: 119.223 Ave N Shift Values>> N :: 115.42(4.75) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.03 C Shift Assignments>> CA :: 57.36 CB :: 40.982695 CG :: 27.782281 CD1 :: 25.415118 CD2 :: 23.688481 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 :: 7.908 HA :: 3.92 HB2 :: 1.292192 HB3 :: 1.657392 HG :: 1.483772 HD11 :: 0.699492 HD12 :: 0.699492 HD13 :: 0.699492 HD21 :: 0.639623 HD22 :: 0.639623 HD23 :: 0.639623 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 :: 119.484 Ave N Shift Values>> N :: 121.86(3.9) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.26 G 0.03 C Shift Assignments>> CA :: 61.078 CB :: 32.210268 CG :: 25.665759 CD :: 29.898803 CE :: 42.180201 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 :: 7.968 HA :: 3.843 HB2 :: 1.950748 HB3 :: 1.950748 HG2 :: 1.405943 HG3 :: 1.669365 HD2 :: 1.639431 HD3 :: 1.639431 HE2 :: 2.896674 HE3 :: 2.896674 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 :: 121.033 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 I 0.02 C Shift Assignments>> CA :: 54.892 CB :: 18.56427 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.239 HA :: 4.118 HB1 :: 1.334101 HB2 :: 1.334101 HB3 :: 1.334101 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.376 Ave N Shift Values>> N :: 123.23(3.54) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.42 CB :: 31.903929 CG1 :: 22.90871 CG2 :: 20.012417 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 :: 7.972 HA :: 3.244 HB :: 1.801077 HG11 :: 0.831203 HG12 :: 0.831203 HG13 :: 0.831203 HG21 :: 0.334293 HG22 :: 0.334293 HG23 :: 0.334293 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 :: 118.009 Ave N Shift Values>> N :: 121.14(4.54) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S118 1.S118 C Shift Assignments>> CA :: 62.157 CB :: 63.206176 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.092 HA :: 3.645 HB2 :: 3.914442 HB3 :: 3.758783 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 :: 113.107 Ave N Shift Values>> N :: 116.28(3.52) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.36 I 0.01 C Shift Assignments>> CA :: 54.504 CB :: 18.675666 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.224 HA :: 4.178 HB1 :: 1.50772 HB2 :: 1.50772 HB3 :: 1.50772 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.069 Ave N Shift Values>> N :: 123.23(3.54) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.051 CB :: 64.375833 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.441 HA :: 4.298 HB2 :: 3.893121 HB3 :: 3.961455 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 :: 111.99 Ave N Shift Values>> N :: 116.28(3.52) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.37 G 0.01 C Shift Assignments>> CA :: 56.859 CB :: 30.957064 CG :: 25.335128 CD :: 29.843105 CE :: 42.375143 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 :: 7.725 HA :: 4.01 HB2 :: 1.974696 HB3 :: 1.723247 HG2 :: 1.263542 HG3 :: 1.355281 HD2 :: 1.693313 HD3 :: 1.693313 HE2 :: 2.992464 HE3 :: 2.992464 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 :: 116.653 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.709 CB :: 30.905964 CG :: 25.920956 CD :: 50.701987 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 :: 4.501 HB2 :: 1.949544 HB3 :: 1.838293 HG2 :: 1.445386 HG3 :: 1.968709 HD2 :: 4.029954 HD3 :: 3.519309 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.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.739 CB :: 64.515078 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.349 HA :: 4.286 HB2 :: 4.237733 HB3 :: 4.064114 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 :: 115.595 Ave N Shift Values>> N :: 116.28(3.52) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.41 I 0.05 V 0.02 L 0.01 C Shift Assignments>> CA :: 55.772 CB :: 18.954156 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.039 HA :: 4.351 HB1 :: 1.519694 HB2 :: 1.519694 HB3 :: 1.519694 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.266 Ave N Shift Values>> N :: 123.23(3.54) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.21 E 0.16 N 0.12 I 0.06 D 0.05 M 0.04 L 0.02 C Shift Assignments>> CA :: 56.402 CB :: 37.780063 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 :: 8.301 HA :: 4.274 HB2 :: 2.699107 HB3 :: 2.699107 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 :: 111.722 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.634 CB :: 31.346949 CG1 :: 23.354294 CG2 :: 20.541547 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 :: 7.376 HA :: 3.166 HB :: 1.950748 HG11 :: 0.807256 HG12 :: 0.807256 HG13 :: 0.807256 HG21 :: 0.274424 HG22 :: 0.274424 HG23 :: 0.274424 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 :: 123.804 Ave N Shift Values>> N :: 121.14(4.54) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.2 I 0.1 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> CA :: 56.255 CB :: 18.062989 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.558 HA :: 3.591 HB1 :: 1.358048 HB2 :: 1.358048 HB3 :: 1.358048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.314 Ave N Shift Values>> N :: 123.23(3.54) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.756 CB :: 32.098872 CG1 :: 24.52122 CG2 :: 22.212486 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 :: 8.507 HA :: 3.316 HB :: 2.094433 HG11 :: 1.12456 HG12 :: 1.12456 HG13 :: 1.12456 HG21 :: 0.855151 HG22 :: 0.855151 HG23 :: 0.855151 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 :: 115.595 Ave N Shift Values>> N :: 121.14(4.54) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.08 C Shift Assignments>> CA :: 56.048 CB :: 18.090838 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.801 HA :: 4.04 HB1 :: 1.465812 HB2 :: 1.465812 HB3 :: 1.465812 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.247 Ave N Shift Values>> N :: 123.23(3.54) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.263 CB :: 39.395303 CG1 :: 30.065897 CG2 :: 17.47816 CD1 :: 14.275528 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 :: 8.305 HA :: 3.561 HB :: 1.765155 HG12 :: 1.825024 HG13 :: 0.53186 HG21 :: 0.861138 HG22 :: 0.861138 HG23 :: 0.861138 HD11 :: 0.591728 HD12 :: 0.591728 HD13 :: 0.591728 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 :: 118.344 Ave N Shift Values>> N :: 121.46(4.28) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.074 CB :: 32.126721 CG1 :: 22.351731 CG2 :: 22.435278 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 :: 8.331 HA :: 3.573 HB :: 2.016604 HG11 :: 1.058704 HG12 :: 1.058704 HG13 :: 1.058704 HG21 :: 0.867125 HG22 :: 0.867125 HG23 :: 0.867125 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 :: 117.264 Ave N Shift Values>> N :: 121.14(4.54) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.152 CB :: 68.775971 CG2 :: 22.351731 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 :: 9.029 HA :: 3.831 HB :: 4.213786 HG21 :: 1.268245 HG22 :: 1.268245 HG23 :: 1.268245 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 :: 112.303 Ave N Shift Values>> N :: 115.42(4.75) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.182 CB :: 63.066932 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.599 HA :: 4.274 HB2 :: 4.094048 HB3 :: 4.094048 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 :: 117.085 Ave N Shift Values>> N :: 116.28(3.52) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 P 0.17 A 0.09 L 0.03 N 0.03 C Shift Assignments>> CA :: 47.917 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.599 HA2 :: 3.956 HA3 :: 3.686941 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.258 Ave N Shift Values>> N :: 109.67(3.87) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.08 G 0.06 HN Overlap>> 1.A42 1.A42 C Shift Assignments>> CA :: 57.782 CB :: 42.876425 CG :: 26.250587 CD1 :: 25.582212 CD2 :: 23.953879 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 :: 8.595 HA :: 3.914 HB2 :: 1.765155 HB3 :: 1.447851 HG :: 1.693313 HD11 :: 0.813243 HD12 :: 0.813243 HD13 :: 0.813243 HD21 :: 0.735269 HD22 :: 0.735269 HD23 :: 0.735269 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 :: 122.262 Ave N Shift Values>> N :: 121.86(3.9) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.24 G 0.02 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> CA :: 60.604 CB :: 32.321664 CG :: 25.693608 CD :: 29.536766 CE :: 42.180201 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 :: 8.589 HA :: 3.855 HB2 :: 1.896866 HB3 :: 1.896866 HG2 :: 1.364035 HG3 :: 1.585549 HD2 :: 1.657392 HD3 :: 1.657392 HE2 :: 2.968516 HE3 :: 2.968516 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 :: 118.851 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.26 G 0.01 C Shift Assignments>> CA :: 58.326 CB :: 32.492491 CG :: 24.85217 CD :: 28.89624 CE :: 42.293992 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 :: 7.189 HA :: 4.16 HB2 :: 1.943271 HB3 :: 1.847536 HG2 :: 1.547264 HG3 :: 1.431447 HD2 :: 1.705287 HD3 :: 1.705287 HE2 :: 2.98049 HE3 :: 2.98049 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 :: 118.322 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.21 L 0.1 V 0.05 T 0.02 I 0.01 C Shift Assignments>> CA :: 55.539 CB :: 20.151662 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.06 HA :: 3.831 HB1 :: 1.543641 HB2 :: 1.543641 HB3 :: 1.543641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.301 Ave N Shift Values>> N :: 123.23(3.54) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> CA :: 57.929 CB :: 40.425715 CG :: 27.058207 CD1 :: 26.111342 CD2 :: 22.853012 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 :: 9.045 HA :: 3.902 HB2 :: 1.831011 HB3 :: 1.459825 HG :: 1.962722 HD11 :: 0.903046 HD12 :: 0.903046 HD13 :: 0.903046 HD21 :: 0.783308 HD22 :: 0.783308 HD23 :: 0.783308 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 :: 116.206 Ave N Shift Values>> N :: 121.86(3.9) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.859 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.739 HA2 :: 3.88764 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 :: 106.001 Ave N Shift Values>> N :: 109.67(3.87) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 I 0.01 C Shift Assignments>> CA :: 54.573 CB :: 18.369327 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.763 HA :: 4.178 HB1 :: 1.405943 HB2 :: 1.405943 HB3 :: 1.405943 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.57 Ave N Shift Values>> N :: 123.23(3.54) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.27 R 0.1 A 0.01 C Shift Assignments>> CA :: 54.961 CB :: 44.213176 CG :: 27.25315 CD1 :: 25.916399 CD2 :: 23.966971 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 :: 7.519 HA :: 4.178 HB2 :: 1.831011 HB3 :: 1.597523 HG :: 1.771142 HD11 :: 0.777321 HD12 :: 0.777321 HD13 :: 0.777321 HD21 :: 1.016796 HD22 :: 1.016796 HD23 :: 1.016796 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 :: 116.176 Ave N Shift Values>> N :: 121.86(3.9) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 R 0.35 G 0.17 K 0.04 C Shift Assignments>> CA :: 56.894 CB :: 27.559489 CG :: 26.699611 CD :: 43.739743 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 :: 7.782 HA :: 3.92 HB2 :: 1.523841 HB3 :: 1.523841 HG2 :: 1.903526 HG3 :: 2.017269 HD2 :: 3.207991 HD3 :: 3.207991 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 :: 115.327 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.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> CA :: 59.465 CB :: 36.7775 CG1 :: 27.921526 CG2 :: 17.979442 CD1 :: 10.348823 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 :: 7.381 HA :: 4.052 HB :: 1.705287 HG12 :: 1.477785 HG13 :: 1.238311 HG21 :: 0.938967 HG22 :: 0.938967 HG23 :: 0.938967 HD11 :: 0.675545 HD12 :: 0.675545 HD13 :: 0.675545 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 :: 118.612 Ave N Shift Values>> N :: 121.46(4.28) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.28 L 0.13 F 0.12 Y 0.11 C Shift Assignments>> CA :: 54.219 CB :: 39.896585 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 :: 8.503 HA :: 4.435 HB2 :: 3.130162 HB3 :: 2.752989 HD21 :: 7.787714 HD22 :: 6.987891 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 :: 124.728 ND2 :: 114.488833 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.49 A 0.41 I 0.05 V 0.02 L 0.01 C Shift Assignments>> CA :: 55.772 CB :: 18.926307 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.064 HB1 :: 1.441864 HB2 :: 1.441864 HB3 :: 1.441864 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> CA :: 47.165 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.479 HA2 :: 3.920429 HA3 :: 3.920429 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.675 Ave N Shift Values>> N :: 109.67(3.87) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.16 CB :: 31.59759 CG1 :: 23.354294 CG2 :: 21.460563 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 :: 8.035 HA :: 3.687 HB :: 1.89088 HG11 :: 1.070678 HG12 :: 1.070678 HG13 :: 1.070678 HG21 :: 0.753374 HG22 :: 0.753374 HG23 :: 0.753374 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 :: 124.251 Ave N Shift Values>> N :: 121.14(4.54) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.881 CB :: 62.732744 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.551 HA :: 3.992 HB2 :: 3.800692 HB3 :: 3.800692 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 :: 115.29 Ave N Shift Values>> N :: 116.28(3.52) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.656 CB :: 62.799909 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.176 HA :: 4.238 HB2 :: 3.993342 HB3 :: 3.993342 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 :: 117.711 Ave N Shift Values>> N :: 116.28(3.52) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.36 E 0.12 R 0.05 I 0.04 M 0.02 C Shift Assignments>> CA :: 59.249 CB :: 28.979787 CG :: 33.964753 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 :: 7.737 HA :: 4.046 HB2 :: 2.234735 HB3 :: 2.150776 HG2 :: 2.561409 HG3 :: 2.292 HE21 :: 7.274032 HE22 :: 6.686735 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 :: 122.746 NE2 :: 110.300264 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.22 K 0.07 C Shift Assignments>> CA :: 60.483 CB :: 43.377707 CG :: 29.394791 CD1 :: 28.144317 CD2 :: 26.111342 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 :: 8.804 HA :: 3.98 HB2 :: 1.860945 HB3 :: 1.723247 HG :: 1.705287 HD11 :: 0.867125 HD12 :: 0.867125 HD13 :: 0.867125 HD21 :: 0.93298 HD22 :: 0.93298 HD23 :: 0.93298 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 :: 121.748 Ave N Shift Values>> N :: 121.86(3.9) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.713 CB :: 67.968351 CG2 :: 21.961845 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 :: 8.654 HA :: 3.675 HB :: 4.237733 HG21 :: 1.172455 HG22 :: 1.172455 HG23 :: 1.172455 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 :: 114.366 Ave N Shift Values>> N :: 115.42(4.75) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T116 1.T116 C Shift Assignments>> CA :: 62.217 CB :: 62.899838 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.161 HA :: 4.232 HB2 :: 3.974311 HB3 :: 3.974311 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 :: 119.141 Ave N Shift Values>> N :: 116.28(3.52) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.42 I 0.03 V 0.01 L 0.01 C Shift Assignments>> CA :: 55.418 CB :: 19.065552 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.921 HA :: 4.178 HB1 :: 1.495746 HB2 :: 1.495746 HB3 :: 1.495746 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.393 Ave N Shift Values>> N :: 123.23(3.54) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> CA :: 66.419 CB :: 31.965816 CG1 :: 24.496102 CG2 :: 23.688481 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 :: 8.548 HA :: 3.765 HB :: 1.879411 HG11 :: 1.154494 HG12 :: 1.154494 HG13 :: 1.154494 HG21 :: 0.938967 HG22 :: 0.938967 HG23 :: 0.938967 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 :: 118.888 Ave N Shift Values>> N :: 121.14(4.54) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.235 CB :: 63.290727 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.36 HA :: 3.92 HB2 :: 3.918058 HB3 :: 3.918058 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 :: 115.469 Ave N Shift Values>> N :: 116.28(3.52) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.36 E 0.14 R 0.05 I 0.04 M 0.02 C Shift Assignments>> CA :: 58.844 CB :: 28.809581 CG :: 34.151869 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 :: 7.676 HA :: 3.938 HB2 :: 2.075301 HB3 :: 2.075301 HG2 :: 2.429698 HG3 :: 2.313062 HE21 :: 7.291056 HE22 :: 6.800909 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 :: 118.918 NE2 :: 111.992251 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.32 L 0.02 I 0.02 V 0.02 C Shift Assignments>> CA :: 55.323 CB :: 19.483286 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.39 HA :: 4.154 HB1 :: 1.645418 HB2 :: 1.645418 HB3 :: 1.645418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.72 Ave N Shift Values>> N :: 123.23(3.54) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.591 CB :: 31.514043 CG1 :: 25.053081 CG2 :: 22.296033 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 :: 9.069 HA :: 3.447 HB :: 2.022591 HG11 :: 0.974888 HG12 :: 0.974888 HG13 :: 0.974888 HG21 :: 0.813243 HG22 :: 0.813243 HG23 :: 0.813243 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 :: 119.335 Ave N Shift Values>> N :: 121.14(4.54) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.47 I 0.02 C Shift Assignments>> CA :: 54.512 CB :: 18.03514 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.37 HA :: 3.962 HB1 :: 1.399956 HB2 :: 1.399956 HB3 :: 1.399956 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.568 Ave N Shift Values>> N :: 123.23(3.54) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.32 L 0.11 F 0.07 Y 0.06 C Shift Assignments>> CA :: 52.994 CB :: 39.896585 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 :: 6.987 HA :: 4.651 HB2 :: 2.872727 HB3 :: 2.633252 HD21 :: 7.52809 HD22 :: 6.840341 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 :: 113.242 ND2 :: 112.32168 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 63.037 CB :: 31.59759 CG1 :: 22.936559 CG2 :: 20.458 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 :: 7.284 HA :: 3.591 HB :: 1.825024 HG11 :: 0.663571 HG12 :: 0.663571 HG13 :: 0.663571 HG21 :: -0.177599(S) HG22 :: -0.177599(S) HG23 :: -0.177599(S) 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 :: 122.456 Ave N Shift Values>> N :: 121.14(4.54) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.14 K 0.07 L 0.03 C Shift Assignments>> CA :: 54.487 CB :: 29.840188 CG :: 26.772268 CD :: 43.461253 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 :: 8.7 HA :: 4.387 HB2 :: 1.698945 HB3 :: 1.619676 HG2 :: 1.698945 HG3 :: 1.613689 HD2 :: 3.190031 HD3 :: 3.190031 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 :: 108.757 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.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.339 CB :: 32.043174 CG :: 28.144317 CD :: 51.387256 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 :: 4.399 HB2 :: 2.160289 HB3 :: 1.6993 HG2 :: 2.064499 HG3 :: 2.064499 HD2 :: 4.138073 HD3 :: 3.567087 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.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.188 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.447 HA2 :: 4.34 HA3 :: 4.117996 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.647 Ave N Shift Values>> N :: 109.67(3.87) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.509 CB :: 64.710021 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6 HA :: 4.477 HB2 :: 3.734836 HB3 :: 3.387597 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 :: 116.057 Ave N Shift Values>> N :: 116.28(3.52) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S101 1.S101 C Shift Assignments>> CA :: 57.247 CB :: 63.011234 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.726 HA :: 4.693 HB2 :: 4.369444 HB3 :: 4.046153 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 :: 118.456 Ave N Shift Values>> N :: 116.28(3.52) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.565 CB :: 32.349513 CG :: 28.868391 CD :: 50.423497 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 :: 4.262 HB2 :: 2.154302 HB3 :: 2.154302 HG2 :: 2.064499 HG3 :: 2.315947 HD2 :: 4.040166 HD3 :: 4.040166 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.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 I 0.01 HN Overlap>> 1.S146 1.S146 C Shift Assignments>> CA :: 54.59 CB :: 18.982005 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.085 HA :: 4.513 HB1 :: 1.358048 HB2 :: 1.358048 HB3 :: 1.358048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.189 Ave N Shift Values>> N :: 123.23(3.54) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.307 CB :: 31.820382 CG1 :: 22.713767 CG2 :: 22.602371 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 :: 7.741 HA :: 3.609 HB :: 2.130354 HG11 :: 1.058704 HG12 :: 1.058704 HG13 :: 1.058704 HG21 :: 0.861138 HG22 :: 0.861138 HG23 :: 0.861138 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 :: 119.946 Ave N Shift Values>> N :: 121.14(4.54) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.44 C Shift Assignments>> CA :: 63.675 CB :: 39.924434 CD2 :: 132.577972 CE2 :: 117.806647 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 :: 7.207 HA :: 3.867 HB2 :: 2.968516 HB3 :: 2.621278 HD1 :: 6.86303 HD2 :: 6.86303 HE1 :: 6.721769 HE2 :: 6.721769 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 :: 117.577 Ave N Shift Values>> N :: 120.52(4.2) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 L 0.27 M 0.1 V 0.1 T 0.06 C Shift Assignments>> CA :: 55.781 CB :: 20.792188 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.962 HA :: 3.711 HB1 :: 1.50772 HB2 :: 1.50772 HB3 :: 1.50772 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.761 Ave N Shift Values>> N :: 123.23(3.54) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 G 0.01 C Shift Assignments>> CA :: 60.155 CB :: 32.321664 CG :: 25.35942 CD :: 29.119032 CE :: 42.013107 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 :: 7.727 HA :: 3.807 HB2 :: 1.872919 HB3 :: 1.872919 HG2 :: 1.417917 HG3 :: 1.417917 HD2 :: 1.615483 HD3 :: 1.615483 HE2 :: 2.872727 HE3 :: 2.872727 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 :: 117.778 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 C Shift Assignments>> CA :: 54.366 CB :: 18.452874 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.182 HA :: 4.022 HB1 :: 1.214363 HB2 :: 1.214363 HB3 :: 1.214363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.81 Ave N Shift Values>> N :: 123.23(3.54) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.373 CB :: 40.342168 CG1 :: 28.005073 CG2 :: 17.255368 CD1 :: 14.526169 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 :: 7.109 HA :: 3.861 HB :: 1.591536 HG12 :: 2.052525 HG13 :: 0.675545 HG21 :: 0.633637 HG22 :: 0.633637 HG23 :: 0.633637 HD11 :: 0.7414 HD12 :: 0.7414 HD13 :: 0.7414 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 :: 109.964 Ave N Shift Values>> N :: 121.46(4.28) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 L 0.32 V 0.1 M 0.08 T 0.06 C Shift Assignments>> CA :: 55.789 CB :: 20.931433 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.77 HA :: 3.777 HB1 :: 1.393969 HB2 :: 1.393969 HB3 :: 1.393969 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.162 Ave N Shift Values>> N :: 123.23(3.54) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 I 0.14 A 0.04 C Shift Assignments>> CA :: 56.756 CB :: 15.417336 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.513 HA :: 4.31 HB1 :: 1.441864 HB2 :: 1.441864 HB3 :: 1.441864 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.824 Ave N Shift Values>> N :: 123.23(3.54) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.185 CB :: 30.734272 CG :: 28.673448 CD :: 51.036175 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 :: 4.405 HB2 :: 2.202197 HB3 :: 1.543641 HG2 :: 1.944761 HG3 :: 2.19621 HD2 :: 3.74681 HD3 :: 3.477401 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.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.735 CB :: 63.039083 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.474 HA :: 3.861 HB2 :: 3.453453 HB3 :: 3.453453 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 :: 108.653 Ave N Shift Values>> N :: 116.28(3.52) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.644 CB :: 30.929215 CG1 :: 24.245461 CG2 :: 23.688481 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 :: 8.22 HA :: 3.226 HB :: 2.178249 HG11 :: 0.771335 HG12 :: 0.771335 HG13 :: 0.771335 HG21 :: 0.91502 HG22 :: 0.91502 HG23 :: 0.91502 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 :: 120.951 Ave N Shift Values>> N :: 121.14(4.54) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.34 R 0.11 I 0.06 E 0.06 P 0.02 M 0.02 C Shift Assignments>> CA :: 59.818 CB :: 28.255713 CG :: 33.686263 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 :: 7.922 HA :: 3.873 HB2 :: 2.106407 HB3 :: 2.106407 HG2 :: 2.420122 HG3 :: 2.293648 HE21 :: 7.37801 HE22 :: 6.722045 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 :: 117.435 NE2 :: 110.948706 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.201 CB :: 37.612969 CG1 :: 29.759558 CG2 :: 18.425025 CD1 :: 12.883079 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 :: 7.532 HA :: 4.052 HB :: 1.765155 HG12 :: 1.543641 HG13 :: 1.340087 HG21 :: 0.81923 HG22 :: 0.81923 HG23 :: 0.81923 HD11 :: 0.7414 HD12 :: 0.7414 HD13 :: 0.7414 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 :: 117.875 Ave N Shift Values>> N :: 121.46(4.28) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> CA :: 59.171 CB :: 41.205486 CG :: 26.139191 CD1 :: 24.858138 CD2 :: 22.10109 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 :: 8.481 HA :: 3.807 HB2 :: 1.896866 HB3 :: 1.094626 HG :: 1.896866 HD11 :: 0.45403 HD12 :: 0.45403 HD13 :: 0.45403 HD21 :: 0.573768 HD22 :: 0.573768 HD23 :: 0.573768 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 :: 123.357 Ave N Shift Values>> N :: 121.86(3.9) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.496 CB :: 31.764684 CG1 :: 23.298596 CG2 :: 21.488412 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 :: 8.777 HA :: 3.873 HB :: 2.130354 HG11 :: 0.789295 HG12 :: 0.789295 HG13 :: 0.789295 HG21 :: 0.921006 HG22 :: 0.921006 HG23 :: 0.921006 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 :: 118.18 Ave N Shift Values>> N :: 121.14(4.54) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> CA :: 62.39 CB :: 62.732744 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.66 HA :: 4.226 HB2 :: 3.998258 HB3 :: 3.998258 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 :: 118.471 Ave N Shift Values>> N :: 116.28(3.52) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> CA :: 59.301 CB :: 65.935376 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.048 HA :: 4.441 HB2 :: 4.12997 HB3 :: 4.12997 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 :: 112.698 Ave N Shift Values>> N :: 116.28(3.52) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.968 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.955 HA2 :: 4.25 HA3 :: 3.93839 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.277 Ave N Shift Values>> N :: 109.67(3.87) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.535 CB :: 64.041646 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.216 HA :: 4.292 HB2 :: 3.920429 HB3 :: 3.76477 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 :: 115.595 Ave N Shift Values>> N :: 116.28(3.52) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.01 C Shift Assignments>> CA :: 59.111 CB :: 35.050863 CG1 :: 23.688481 CG2 :: 21.655506 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 :: 7.288 HA :: 4.884 HB :: 1.477785 HG11 :: 0.843177 HG12 :: 0.843177 HG13 :: 0.843177 HG21 :: 0.621663 HG22 :: 0.621663 HG23 :: 0.621663 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 :: 116.579 Ave N Shift Values>> N :: 121.14(4.54) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.34 L 0.14 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> CA :: 51.838 CB :: 40.676356 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 :: 9.179 HA :: 4.627 HB2 :: 3.106214 HB3 :: 2.78891 HD21 :: 7.645923 HD22 :: 6.742696 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 :: 123.722 ND2 :: 115.078854 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.27 I 0.08 N 0.08 E 0.07 D 0.06 L 0.03 M 0.02 C Shift Assignments>> CA :: 56.894 CB :: 38.281344 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 :: 8.667 HA :: 4.292 HB2 :: 2.764963 HB3 :: 2.764963 HD21 :: 7.521367 HD22 :: 6.726974 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 :: 115.148 ND2 :: 110.803402 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.22 Y 0.2 F 0.2 L 0.1 I 0.02 C Shift Assignments>> CA :: 55.306 CB :: 39.256058 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 :: 4.711 HB2 :: 2.830818 HB3 :: 2.830818 HD21 :: 7.57777 HD22 :: 7.007927 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 :: 115.201 ND2 :: 113.313194 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.2 F 0.05 L 0.04 Y 0.04 C Shift Assignments>> CA :: 51.95 CB :: 39.088964 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 :: 7.854 HA :: 5.124 HB2 :: 3.381611 HB3 :: 2.699107 HD21 :: 7.315341 HD22 :: 6.409763 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 :: 116.78 ND2 :: 105.594483 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 A 0.21 V 0.13 I 0.12 T 0.04 L 0.03 C Shift Assignments>> CA :: 57.058 CB :: 19.511135 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.447 HA :: 3.747 HB1 :: 1.42989 HB2 :: 1.42989 HB3 :: 1.42989 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.808 Ave N Shift Values>> N :: 123.23(3.54) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.23 G 0.02 C Shift Assignments>> CA :: 60.284 CB :: 32.321664 CG :: 25.316419 CD :: 29.676011 CE :: 42.375143 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 :: 8.344 HA :: 3.992 HB2 :: 1.902853 HB3 :: 1.902853 HG2 :: 1.555043 HG3 :: 1.462743 HD2 :: 1.747195 HD3 :: 1.747195 HE2 :: 2.96253 HE3 :: 2.96253 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 :: 114.873 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.34 E 0.12 R 0.08 I 0.06 M 0.01 C Shift Assignments>> CA :: 59.137 CB :: 28.33926 CG :: 34.103998 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 :: 7.892 HA :: 4.094 HB2 :: 2.154302 HB3 :: 2.154302 HG2 :: 2.405751 HG3 :: 2.405751 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 :: 120.72 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.M125 1.M125 C Shift Assignments>> CA :: 66.496 CB :: 31.848231 CG1 :: 23.131502 CG2 :: 20.541547 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 :: 8.693 HA :: 3.567 HB :: 1.920814 HG11 :: 0.998836 HG12 :: 0.998836 HG13 :: 0.998836 HG21 :: 0.693505 HG22 :: 0.693505 HG23 :: 0.693505 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 :: 120.556 Ave N Shift Values>> N :: 121.14(4.54) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.28 I 0.07 C Shift Assignments>> CA :: 55.884 CB :: 18.174384 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.75 HA :: 3.813 HB1 :: 1.370022 HB2 :: 1.370022 HB3 :: 1.370022 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.655 Ave N Shift Values>> N :: 123.23(3.54) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.95 CB :: 63.289723 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.162 HA :: 4.304 HB2 :: 3.992271 HB3 :: 3.992271 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 :: 115.469 Ave N Shift Values>> N :: 116.28(3.52) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S69 1.S69 C Shift Assignments>> CA :: 67.195 CB :: 68.831669 CG2 :: 22.407429 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 :: 8.218 HA :: 4.052 HB :: 4.141943 HG21 :: 1.106599 HG22 :: 1.106599 HG23 :: 1.106599 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 :: 119.201 Ave N Shift Values>> N :: 115.42(4.75) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.13 G 0.11 C Shift Assignments>> CA :: 59.025 CB :: 43.210613 CG :: 27.225301 CD1 :: 25.263555 CD2 :: 24.245461 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 :: 9.083 HA :: 3.92 HB2 :: 1.760092 HB3 :: 1.690482 HG :: 1.41193 HD11 :: 0.633637 HD12 :: 0.633637 HD13 :: 0.633637 HD21 :: 0.64561 HD22 :: 0.64561 HD23 :: 0.64561 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 :: 122.329 Ave N Shift Values>> N :: 121.86(3.9) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.S33 1.S33 C Shift Assignments>> CA :: 63.848 CB :: 63.958099 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.052 HA :: 3.747 HB2 :: 3.74681 HB3 :: 3.74681 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.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 I 0.34 K 0.13 Q 0.08 M 0.01 HN Overlap>> 1.M165 1.M165 C Shift Assignments>> CA :: 60.431 CB :: 29.199459 CG :: 35.713596 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 :: 8.358 HA :: 3.741 HB2 :: 2.078307 HB3 :: 1.956735 HG2 :: 2.198565 HG3 :: 2.100267 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 :: 122.329 Ave N Shift Values>> N :: 120.67(3.48) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 L 0.15 K 0.12 D 0.11 I 0.05 N 0.01 C Shift Assignments>> CA :: 57.523 CB :: 40.787752 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 :: 7.265 HA :: 4.375 HB2 :: 2.669173 HB3 :: 2.178249 HD21 :: 7.963189 HD22 :: 7.720344 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 :: 113.629 ND2 :: 115.78776 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.18 G 0.15 C Shift Assignments>> CA :: 58.619 CB :: 43.489102 CG :: 27.197452 CD1 :: 25.693608 CD2 :: 24.440404 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 :: 8.417 HA :: 3.944 HB2 :: 1.6993 HB3 :: 1.6993 HG :: 1.531667 HD11 :: 0.801269 HD12 :: 0.801269 HD13 :: 0.801269 HD21 :: 0.770004 HD22 :: 0.770004 HD23 :: 0.770004 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 :: 118.054 Ave N Shift Values>> N :: 121.86(3.9) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E124 1.E124 C Shift Assignments>> CA :: 67.73 CB :: 31.820382 CG1 :: 23.966971 CG2 :: 22.73834 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 :: 8.051 HA :: 3.561 HB :: 2.124368 HG11 :: 1.088639 HG12 :: 1.088639 HG13 :: 1.088639 HG21 :: 1.041957 HG22 :: 1.041957 HG23 :: 1.041957 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 :: 115.99 Ave N Shift Values>> N :: 121.14(4.54) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.29 K 0.08 C Shift Assignments>> CA :: 60.552 CB :: 30.78997 CG :: 28.255713 CD :: 43.659869 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 :: 7.799 HA :: 3.771 HB2 :: 1.831011 HB3 :: 1.831011 HG2 :: 1.519694 HG3 :: 1.753182 HD2 :: 3.271329 HD3 :: 3.144829 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 :: 116.541 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.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 K 0.26 Q 0.26 I 0.05 M 0.02 R 0.01 HN Overlap>> 1.V122 1.V122 C Shift Assignments>> CA :: 57.593 CB :: 28.951938 CG :: 35.190108 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 :: 8.089 HA :: 4.627 HB2 :: 2.076473 HB3 :: 2.076473 HG2 :: 2.477593 HG3 :: 2.130354 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 :: 116.013 Ave N Shift Values>> N :: 120.67(3.48) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 I 0.15 HN Overlap>> 1.V113 1.V113 C Shift Assignments>> CA :: 60.845 CB :: 34.131847 CG :: 31.653288 CE :: 14.77681 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 :: 8.751 HA :: 4.046 HB2 :: 2.375816 HB3 :: 1.549628 HG2 :: 3.064306 HG3 :: 2.435685 HE1 :: 1.765155 HE2 :: 1.765155 HE3 :: 1.765155 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 :: 120.497 Ave N Shift Values>> N :: 120.09(3.57) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.37 I 0.06 V 0.02 L 0.01 C Shift Assignments>> CA :: 55.979 CB :: 18.954156 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.903 HA :: 3.819 HB1 :: 1.52568 HB2 :: 1.52568 HB3 :: 1.52568 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.171 Ave N Shift Values>> N :: 123.23(3.54) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 D 0.12 N 0.11 L 0.07 I 0.06 E 0.02 M 0.01 C Shift Assignments>> CA :: 56.48 CB :: 38.921871 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 :: 7.687 HA :: 4.465 HB2 :: 2.920621 HB3 :: 2.920621 HD21 :: 7.910703 HD22 :: 6.888403 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 :: 115.223 ND2 :: 113.608204 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.074 CB :: 68.246841 CG2 :: 23.354294 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 :: 8.726 HA :: 3.956 HB :: 4.261681 HG21 :: 1.405943 HG22 :: 1.405943 HG23 :: 1.405943 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 :: 117.264 Ave N Shift Values>> N :: 115.42(4.75) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.15 I 0.06 C Shift Assignments>> CA :: 55.824 CB :: 16.781936 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.955 HA :: 3.956 HB1 :: 1.41193 HB2 :: 1.41193 HB3 :: 1.41193 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.581 Ave N Shift Values>> N :: 123.23(3.54) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 G 0.39 K 0.04 C Shift Assignments>> CA :: 59.732 CB :: 30.23299 CG :: 28.534203 CD :: 43.990384 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 :: 7.439 HA :: 4.19 HB2 :: 1.914827 HB3 :: 1.914827 HG2 :: 2.082459 HG3 :: 1.789103 HD2 :: 3.279834 HD3 :: 3.279834 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 :: 116.698 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.R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.24 L 0.03 K 0.02 C Shift Assignments>> CA :: 58.24 CB :: 29.313974 CG :: 27.420244 CD :: 43.878988 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 :: 7.669 HA :: 4.082 HB2 :: 1.819037 HB3 :: 1.639431 HG2 :: 1.50772 HG3 :: 1.50772 HD2 :: 3.064306 HD3 :: 3.064306 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 :: 119.231 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.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 57.748 CB :: 38.058552 CD1 :: 133.888257 CE1 :: 117.63272 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 :: 7.606 HA :: 4.567 HB2 :: 3.465427 HB3 :: 2.48358 HD1 :: 7.086577 HD2 :: 7.086577 HE1 :: 6.603151 HE2 :: 6.603151 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 :: 118.65 Ave N Shift Values>> N :: 120.52(4.2) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.35 G 0.17 K 0.08 C Shift Assignments>> CA :: 57.86 CB :: 27.865828 CG :: 26.373303 CD :: 43.684045 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 :: 7.657 HA :: 3.789 HB2 :: 1.531667 HB3 :: 1.531667 HG2 :: 2.178777 HG3 :: 2.069813 HD2 :: 3.213978 HD3 :: 3.213978 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 :: 110.322 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.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.105 CB :: 31.681137 CG1 :: 21.182074 CG2 :: 20.430151 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 :: 7.601 HA :: 4.004 HB :: 1.831011 HG11 :: 0.579755 HG12 :: 0.579755 HG13 :: 0.579755 HG21 :: 0.801269 HG22 :: 0.801269 HG23 :: 0.801269 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 :: 120.877 Ave N Shift Values>> N :: 121.14(4.54) 1.N135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.27 L 0.08 F 0.07 Y 0.06 C Shift Assignments>> CA :: 52.787 CB :: 39.475654 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 :: 8.604 HA :: 4.663 HB2 :: 2.688471 HB3 :: 2.628512 HD21 :: 7.481112 HD22 :: 6.738779 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 :: 125.726 ND2 :: 111.785303 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 0.99 C Shift Assignments>> CA :: 59.637 CB :: 33.101435 CG1 :: 21.480867 CG2 :: 21.432715 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 :: 8.223 HA :: 4.286 HB :: 1.89088 HG11 :: 0.806888 HG12 :: 0.806888 HG13 :: 0.806888 HG21 :: 0.801269 HG22 :: 0.801269 HG23 :: 0.801269 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 :: 126.963 Ave N Shift Values>> N :: 121.14(4.54) 1.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.045 CB :: 32.795096 CG :: 27.854161 CD :: 51.036175 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 :: 4.435 HB2 :: 2.48358 HB3 :: 1.926801 HG2 :: 2.003769 HG3 :: 2.077333 HD2 :: 3.567204 HD3 :: 3.830626 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.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 I 0.36 K 0.12 Q 0.07 M 0.01 C Shift Assignments>> CA :: 60.431 CB :: 29.14688 CG :: 35.830634 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 :: 9.135 HA :: 3.944 HB2 :: 2.076473 HB3 :: 1.95398 HG2 :: 2.315947 HG3 :: 2.315947 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 :: 125.786 Ave N Shift Values>> N :: 120.67(3.48) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.04 C Shift Assignments>> CA :: 55.341 CB :: 18.313629 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.105 HA :: 4.183 HB1 :: 1.41193 HB2 :: 1.41193 HB3 :: 1.41193 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.64 Ave N Shift Values>> N :: 123.23(3.54) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.673 CB :: 62.621348 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.417 HA :: 4.328 HB2 :: 4.088061 HB3 :: 3.65102 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 :: 114.523 Ave N Shift Values>> N :: 116.28(3.52) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.867 CB :: 31.514043 CG1 :: 23.688481 CG2 :: 21.739053 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 :: 7.731 HA :: 3.495 HB :: 2.184236 HG11 :: 0.807256 HG12 :: 0.807256 HG13 :: 0.807256 HG21 :: 0.900502 HG22 :: 0.900502 HG23 :: 0.900502 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 :: 124.609 Ave N Shift Values>> N :: 121.14(4.54) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.32 R 0.16 E 0.05 I 0.05 M 0.01 P 0.01 C Shift Assignments>> CA :: 59.154 CB :: 27.81013 CG :: 33.714112 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 :: 8.247 HA :: 3.932 HB2 :: 2.142675 HB3 :: 2.089921 HG2 :: 2.47353 HG3 :: 2.418804 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 :: 118.59 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.35 I 0.04 C Shift Assignments>> CA :: 55.229 CB :: 17.923744 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.617 HA :: 4.184 HB1 :: 1.531667 HB2 :: 1.531667 HB3 :: 1.531667 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.867 Ave N Shift Values>> N :: 123.23(3.54) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 F 0.19 L 0.18 Y 0.14 D 0.09 R 0.07 I 0.02 C Shift Assignments>> CA :: 57.48 CB :: 41.734617 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 :: 8.097 HA :: 4.423 HB2 :: 3.387597 HB3 :: 2.507527 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 :: 121.45 Ave N Shift Values>> N :: 120.65(3.86) 1.V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.644 CB :: 31.625439 CG1 :: 23.688481 CG2 :: 21.961845 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 :: 8.63 HA :: 3.543 HB :: 2.220158 HG11 :: 1.058704 HG12 :: 1.058704 HG13 :: 1.058704 HG21 :: 0.891072 HG22 :: 0.891072 HG23 :: 0.891072 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 :: 121.018 Ave N Shift Values>> N :: 121.14(4.54) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A85 1.A85 C Shift Assignments>> CA :: 62.191 CB :: 62.996444 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.146 HA :: 4.087 HB2 :: 3.974127 HB3 :: 3.974127 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 :: 117.279 Ave N Shift Values>> N :: 116.28(3.52) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 R 0.33 G 0.03 C Shift Assignments>> CA :: 59.025 CB :: 42.45869 CG :: 27.420244 CD1 :: 26.473379 CD2 :: 24.80244 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 :: 2.022591 HB3 :: 1.819037 HG :: 1.52568 HD11 :: 0.879098 HD12 :: 0.879098 HD13 :: 0.879098 HD21 :: 0.926993 HD22 :: 0.926993 HD23 :: 0.926993 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 :: 123.402 Ave N Shift Values>> N :: 121.86(3.9) 1.V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.169 CB :: 30.762121 CG1 :: 22.463127 CG2 :: 18.84276 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 :: 8.969 HA :: 3.956 HB :: 2.148315 HG11 :: 0.938967 HG12 :: 0.938967 HG13 :: 0.938967 HG21 :: 1.112586 HG22 :: 1.112586 HG23 :: 1.112586 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 :: 112.944 Ave N Shift Values>> N :: 121.14(4.54) 1.T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 65.668 CB :: 68.80382 CG2 :: 22.574522 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 :: 8.134 HA :: 4.16 HB :: 4.24372 HG21 :: 1.352061 HG22 :: 1.352061 HG23 :: 1.352061 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 :: 114.612 Ave N Shift Values>> N :: 115.42(4.75) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.079 CB :: 62.927687 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.014 HA :: 4.292 HB2 :: 4.082075 HB3 :: 4.082075 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 :: 120.124 Ave N Shift Values>> N :: 116.28(3.52) 1.M151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> CA :: 59.189 CB :: 33.825508 CG :: 32.711549 CE :: 16.39205 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 :: 8.172 HA :: 4.226 HB2 :: 2.131716 HB3 :: 1.980683 HG2 :: 2.794897 HG3 :: 2.555422 HE1 :: 2.016604 HE2 :: 2.016604 HE3 :: 2.016604 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 :: 119.335 Ave N Shift Values>> N :: 120.09(3.57) 1.T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.659 CB :: 69.138008 CG2 :: 22.184637 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 :: 7.985 HA :: 4.052 HB :: 4.123983 HG21 :: 1.052718 HG22 :: 1.052718 HG23 :: 1.052718 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 :: 107.737 Ave N Shift Values>> N :: 115.42(4.75) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.975 CB :: 63.846703 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.802 HA :: 4.393 HB2 :: 4.05214 HB3 :: 4.05214 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 :: 113.986 Ave N Shift Values>> N :: 116.28(3.52) 1.T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.259 CB :: 69.555743 CG2 :: 21.54411 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 :: 7.206 HA :: 4.405 HB :: 4.411352 HG21 :: 1.196402 HG22 :: 1.196402 HG23 :: 1.196402 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 :: 109.308 Ave N Shift Values>> N :: 115.42(4.75) 1.F155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 Y 0.41 C Shift Assignments>> CA :: 58.913 CB :: 39.952283 CD1 :: 131.816429 CE1 :: 130.85388 CZ :: 128.746837 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 :: 7.299 HA :: 4.441 HB2 :: 3.094241 HB3 :: 2.96253 HD1 :: 7.122235 HD2 :: 7.122235 HE1 :: 7.031719 HE2 :: 7.031719 HZ :: 6.922002 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 :: 122.746 Ave N Shift Values>> N :: 120.45(4.18) 1.V156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.233 CB :: 34.410337 CG1 :: 21.198756 CG2 :: 20.770796 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 :: 7.759 HA :: 3.938 HB :: 1.831011 HG11 :: 0.782385 HG12 :: 0.782385 HG13 :: 0.782385 HG21 :: 0.799097 HG22 :: 0.799097 HG23 :: 0.799097 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 :: 124.892 Ave N Shift Values>> N :: 121.14(4.54) 1.I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.655 CB :: 38.754777 CG1 :: 28.032922 CG2 :: 17.840197 CD1 :: 13.802095 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 :: 8.12 HA :: 4.015 HB :: 1.71726 HG12 :: 1.405943 HG13 :: 1.052718 HG21 :: 0.825216 HG22 :: 0.825216 HG23 :: 0.825216 HD11 :: 0.861138 HD12 :: 0.861138 HD13 :: 0.861138 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 :: 124.892 Ave N Shift Values>> N :: 121.46(4.28) 1.S158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.136 CB :: 64.264437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.746 HA :: 4.483 HB2 :: 3.812665 HB3 :: 3.812665 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 :: 121.942 Ave N Shift Values>> N :: 116.28(3.52) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.481 CB :: 64.187807 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.453 HB2 :: 3.811765 HB3 :: 3.811765 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) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.35 E 0.12 M 0.07 R 0.03 C Shift Assignments>> CA :: 56.104 CB :: 29.321782 CG :: 33.992602 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 :: 8.404 HA :: 4.325 HB2 :: 1.952631 HB3 :: 2.053892 HG2 :: 2.327921 HG3 :: 2.327921 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 :: 122.081 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 62.036 CB :: 69.806383 CG2 :: 22.134522 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>> HA :: 4.345 HB :: 4.231746 HG21 :: 0.867125 HG22 :: 0.867125 HG23 :: 0.867125 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) 1.S162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.447 CB :: 64.069495 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.275 HA :: 4.465 HB2 :: 3.848587 HB3 :: 3.848587 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 :: 118.158 Ave N Shift Values>> N :: 116.28(3.52) 1.V163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.553 CB :: 32.822945 CG1 :: 21.382788 CG2 :: 20.702929 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 :: 8.103 HA :: 4.094 HB :: 2.022591 HG11 :: 0.888104 HG12 :: 0.888104 HG13 :: 0.888104 HG21 :: 0.891585 HG22 :: 0.891585 HG23 :: 0.891585 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 :: 121.614 Ave N Shift Values>> N :: 121.14(4.54) 1.Q164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 H 0.19 K 0.18 E 0.16 R 0.15 M 0.05 L 0.01 I 0.01 C Shift Assignments>> CA :: 55.867 CB :: 29.369672 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 :: 8.371 HA :: 4.31 HB2 :: 2.03532 HB3 :: 1.944879 HG2 :: 2.315947 HG3 :: 2.315947 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 :: 123.938 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 HN Overlap>> 1.E119 1.E119 C Shift Assignments>> CA :: 55.72 CB :: 32.958989 CG :: 32.046749 CE :: 17.025651 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 :: 8.425 HA :: 4.47 HB2 :: 1.974666 HB3 :: 2.077753 HG2 :: 2.589642 HG3 :: 2.491041 HE1 :: 2.048761 HE2 :: 2.048761 HE3 :: 2.048761 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 :: 122.3 Ave N Shift Values>> N :: 120.09(3.57) 1.G166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 45.689 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.396 HA2 :: 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 :: 110.605 Ave N Shift Values>> N :: 109.67(3.87) 1.G167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 45.689 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.929 HA2 :: 3.777 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.148 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 162 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 161 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 167 #Suspicious: 0 C Shift Results: #Consistent: 487 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1065 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 163 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.L11 N = 104.963(S), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4738e-05 1.G12 N = 126.963(S), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8779e-06 1.N27 H = 11.715(S), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4548e-08 1.T28 H = 10.495(S), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7573e-04 1.V78 HG21 = -0.177599(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.8045e-04 1.V78 HG22 = -0.177599(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.8045e-04 1.V78 HG23 = -0.177599(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.8045e-04