Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.723(D) CA :: 63.244(D) CB :: 32.070(D) CG :: 27.244 CD :: 50.989 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 :: 4.421 HB2 :: 1.883 HB3 :: 1.883 HG2 :: 1.983 HG3 :: 1.983 HD2 :: 3.692 HD3 :: 3.862 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.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.382(D) CA :: 61.342(D) CB :: 38.646(D) CG1 :: 27.359(D) CG2 :: 17.483(D) CD1 :: 12.937(D) 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 :: 8.194(D) HA :: 4.132(D) HB :: 1.751(D) HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.105(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.45 C 0.39 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 176.132 CA :: 56.620(D) CB :: 30.495(D) CG :: 36.217(D) 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 :: 8.441(D) HA :: 4.253(D) HB2 :: 1.978 HB3 :: 1.898 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 :: 124.755(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.468 CA :: 58.761(D) CB :: 63.812 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.295(D) HA :: 4.349 HB2 :: 3.792 HB3 :: 3.792 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 :: 116.816(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 K 0.18 H 0.17 C 0.13 E 0.12 R 0.12 L 0.04 I 0.01 C Shift Assignments>> C :: 174.216 CA :: 55.351 CB :: 28.831 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.511 HA :: 4.743 HB2 :: 3.275 HB3 :: 3.142 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.257 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.3 C 0.25 E 0.06 R 0.04 C Shift Assignments>> C :: 175.889 CA :: 56.047 CB :: 29.226 CG :: 33.720 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 :: 8.332 HA :: 4.320 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 2.310 HG3 :: 2.310 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 :: 121.449 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.239(D) CA :: 62.802(D) CB :: 32.611(D) CG1 :: 21.559(D) CG2 :: 20.618(D) 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(D) HA :: 4.168(D) HB :: 2.033 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 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 :: 121.026(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.42 C 0.35 K 0.09 Q 0.07 I 0.04 C Shift Assignments>> C :: 176.437 CA :: 56.824(D) CB :: 29.789(D) CG :: 36.216(D) 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 :: 8.432(D) HA :: 4.463(D) HB2 :: 1.924(D) HB3 :: 1.839(D) HG2 :: 2.064(D) HG3 :: 2.064(D) 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 :: 124.205(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.39 R 0.1 C Shift Assignments>> CA :: 56.090 CB :: 33.115 CG :: 24.653 CD :: 29.057 CE :: 42.009 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 :: 8.264 HA :: 4.264 HB2 :: 1.751 HB3 :: 1.751 HG2 :: 1.426 HG3 :: 1.426 HD2 :: 1.616 HD3 :: 1.616 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.088 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.48 C 0.39 G 0.06 K 0.05 C Shift Assignments>> C :: 176.132 CA :: 56.334 CB :: 30.676 CG :: 26.812 CD :: 43.304 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>> HA :: 4.295 HD2 :: 3.172 HD3 :: 3.172 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) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.4 R 0.08 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 176.069 CA :: 56.167 CB :: 33.232 CG :: 24.441 CD :: 29.114 CE :: 41.923 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 :: 8.345 HA :: 4.270 HB2 :: 1.731 HB3 :: 1.731 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.628 HD3 :: 1.628 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.856 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.18 N 0.14 F 0.12 Y 0.1 C 0.07 K 0.04 C Shift Assignments>> C :: 173.866 CA :: 54.655 CB :: 40.541 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.635 HA :: 4.766 HB2 :: 3.132 HB3 :: 3.132 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.231 Ave N Shift Values>> N :: 120.17(4.64) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.22 C 0.07 L 0.06 F 0.05 Y 0.05 C Shift Assignments>> C :: 174.387 CA :: 52.498 CB :: 39.332 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 :: 8.638 HA :: 4.901 HB2 :: 2.785 HB3 :: 2.942 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 :: 122.254 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 175.040(D) CA :: 60.492(D) CB :: 71.528(D) CG2 :: 21.545 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 :: 7.467(D) HA :: 4.550 HB :: 4.658 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 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 :: 108.414(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 I 0.11 C 0.08 V 0.01 C Shift Assignments>> C :: 180.024(D) CA :: 55.571(D) CB :: 18.433(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.364(D) HA :: 4.071 HB1 :: 1.493 HB2 :: 1.493 HB3 :: 1.493 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.611(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.920(D) CA :: 65.663(D) CB :: 68.660(D) CG2 :: 21.717 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 :: 8.315(D) HA :: 4.011 HB :: 4.360(D) HG21 :: 1.365(D) HG22 :: 1.365(D) HG23 :: 1.365(D) 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 :: 112.871(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 K 0.22 Y 0.18 L 0.11 C 0.1 I 0.05 D 0.04 R 0.04 C Shift Assignments>> C :: 176.525(D) CA :: 58.557(D) CB :: 41.547(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.005(D) HA :: 4.185(D) HB2 :: 3.242 HB3 :: 3.242 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.610(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 I 0.11 C 0.08 V 0.02 HN Overlap>> 1.A53 1.A53 1.K12 1.K12 C Shift Assignments>> C :: 179.122(D) CA :: 55.635(D) CB :: 18.502(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.266(D) HA :: 4.193(D) HB1 :: 1.595(D) HB2 :: 1.595(D) HB3 :: 1.595(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.812(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.492(D) CA :: 66.607(D) CB :: 68.588(D) CG2 :: 22.020(D) 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 :: 8.255(D) HA :: 3.873(D) HB :: 4.378(D) HG21 :: 1.120(D) HG22 :: 1.120(D) HG23 :: 1.120(D) 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 :: 111.088(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 K 0.24 Q 0.24 E 0.1 I 0.03 R 0.03 C Shift Assignments>> C :: 178.385(D) CA :: 59.134(D) CB :: 28.849(D) CG :: 34.179(D) 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 :: 7.873(D) HA :: 4.183(D) HB2 :: 2.097(D) HB3 :: 2.097(D) HG2 :: 2.387(D) HG3 :: 2.297(D) HE21 :: 7.765 HE22 :: 7.520 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 :: 121.477(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 R 0.43 G 0.08 K 0.02 HN Overlap>> 1.V43 1.V43 C Shift Assignments>> C :: 179.485(D) CA :: 59.134(D) CB :: 30.155(D) CG :: 27.244 CD :: 43.477 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 :: 8.112(D) HA :: 4.151 HB2 :: 2.013 HB3 :: 1.900 HG2 :: 1.713 HG3 :: 1.713 HD2 :: 3.279 HD3 :: 3.279 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 :: 119.063(D) 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.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 C 0.42 R 0.03 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 177.900(D) CA :: 58.081(D) CB :: 41.702(D) CG :: 27.124 CD1 :: 24.998 CD2 :: 25.246 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 :: 8.216(D) HA :: 4.151 HB2 :: 1.875 HB3 :: 1.691 HG :: 1.713 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 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 :: 120.542(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 I 0.17 C 0.08 V 0.01 C Shift Assignments>> C :: 179.067(D) CA :: 55.839(D) CB :: 18.201(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.529(D) HA :: 3.942 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.002(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.21 C 0.17 N 0.13 D 0.1 L 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 177.361(D) CA :: 56.144(D) CB :: 38.627(D) 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 :: 8.214(D) HA :: 4.401 HB2 :: 2.917 HB3 :: 2.832 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 :: 114.787(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 Y 0.22 F 0.22 C 0.15 C Shift Assignments>> C :: 177.736(D) CA :: 60.900(D) CB :: 39.439(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.051(D) HA :: 4.411 HB2 :: 3.362 HB3 :: 3.299 HD1 :: 7.226 HD2 :: 7.226 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 :: 120.227(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.47 C 0.45 R 0.06 C Shift Assignments>> C :: 178.451(D) CA :: 57.673(D) CB :: 41.644(D) CG :: 26.984 CD1 :: 26.213 CD2 :: 25.864 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 :: 8.407(D) HA :: 3.893 HB2 :: 2.014 HB3 :: 1.933 HG :: 1.430 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 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 :: 119.702(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.680(D) CA :: 65.656(D) CB :: 31.837(D) CG1 :: 21.890 CG2 :: 21.372 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 :: 8.081(D) HA :: 3.772 HB :: 2.063 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 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 :: 117.002(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 E 0.18 R 0.17 H 0.15 Q 0.11 K 0.08 V 0.04 I 0.02 C Shift Assignments>> C :: 177.075(D) CA :: 58.454(D) CB :: 30.561(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.868(D) HA :: 4.643 HB2 :: 3.377 HB3 :: 3.194 HD2 :: 7.346 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.260(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.963(D) CA :: 60.322(D) CB :: 63.636(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.927(D) HA :: 4.339 HB2 :: 3.654 HB3 :: 3.654 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 :: 114.931(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.106(D) CA :: 60.119(D) CB :: 63.288(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.996(D) HA :: 4.091 HB2 :: 3.822 HB3 :: 3.822 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 :: 116.255(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 D 0.16 Y 0.14 F 0.13 C 0.12 L 0.05 E 0.01 I 0.01 C Shift Assignments>> C :: 175.733(D) CA :: 54.579(D) CB :: 38.685(D) 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 :: 8.099(D) HA :: 4.551 HB2 :: 2.615 HB3 :: 2.615 HD22 :: 7.469 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.571(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.18 C 0.1 Y 0.1 F 0.09 L 0.05 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 175.810(D) CA :: 53.868(D) CB :: 38.801(D) 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 :: 8.133(D) HA :: 4.701 HB2 :: 2.762 HB3 :: 2.762 HD21 :: 7.524 HD22 :: 6.862 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 :: 117.356(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 Y 0.27 F 0.24 C 0.17 L 0.01 C Shift Assignments>> C :: 176.965(D) CA :: 59.847(D) CB :: 38.975(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.257(D) HA :: 4.390 HB2 :: 3.122 HB3 :: 3.122 HD1 :: 7.194 HD2 :: 7.194 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.584(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 175.315(D) CA :: 47.007(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.627(D) HA2 :: 4.119(D) HA3 :: 4.119(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.077(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 C 0.03 I 0.01 C Shift Assignments>> C :: 179.595(D) CA :: 53.902(D) CB :: 18.607(D) 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(D) HA :: 4.234 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.018(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.196(D) CA :: 63.482(D) CB :: 38.279(D) CG1 :: 28.372 CG2 :: 17.521 CD1 :: 13.405 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 :: 7.796(D) HA :: 3.906 HB :: 1.953 HG12 :: 1.650 HG13 :: 1.211 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 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 :: 117.775(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 L 0.38 R 0.14 C Shift Assignments>> C :: 177.768(D) CA :: 56.144(D) CB :: 41.760(D) CG :: 28.798 CD1 :: 25.453 CD2 :: 23.582 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 :: 7.929(D) HA :: 4.191 HB2 :: 1.706 HB3 :: 1.706 HG :: 1.603 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 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 :: 119.309(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.029(D) CA :: 59.575(D) CB :: 63.695(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.951(D) HA :: 4.381 HB2 :: 3.922 HB3 :: 3.922 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 :: 113.175(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.655(D) CA :: 59.303(D) CB :: 63.927(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.029(D) HA :: 4.481 HB2 :: 3.959 HB3 :: 3.959 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 :: 116.530(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.182(D) CA :: 62.361(D) CB :: 69.845(D) CG2 :: 21.545 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 :: 7.856(D) HA :: 4.228 HB :: 4.328 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 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 :: 114.105(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.359(D) CA :: 53.461(D) CB :: 38.801(D) 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 :: 8.437(D) HA :: 4.751 HB2 :: 2.742 HB3 :: 2.882 HD22 :: 7.596 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 :: 120.344(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.72 C 0.27 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> C :: 176.316(D) CA :: 62.972(D) CB :: 32.302(D) CG1 :: 21.286 CG2 :: 20.595 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 :: 8.069(D) HA :: 4.054 HB :: 2.130 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 119.076(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.324 CA :: 45.512(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.452(D) HA2 :: 3.953 HA3 :: 3.869 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.707(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.684 CA :: 58.841 CB :: 63.682 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.139 HA :: 4.361 HB2 :: 3.954 HB3 :: 3.854 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 :: 115.240 Ave N Shift Values>> N :: 116.28(3.52) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.15 C 0.11 Y 0.09 F 0.08 L 0.04 E 0.01 HN Overlap>> 1.R51 1.R51 C Shift Assignments>> C :: 175.394 CA :: 53.670 CB :: 38.555 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 :: 8.431 HA :: 4.713 HB2 :: 2.772 HB3 :: 2.772 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 :: 120.095 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.468 CA :: 62.917 CB :: 69.468 CG2 :: 21.572 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 :: 7.967 HA :: 4.058 HB :: 4.153 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.692 Ave N Shift Values>> N :: 115.42(4.75) 1.Y48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.26 C 0.18 I 0.16 E 0.02 D 0.02 L 0.02 N 0.01 C Shift Assignments>> C :: 176.085(D) CA :: 58.454(D) CB :: 38.685(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.118(D) HA :: 4.501 HB2 :: 3.024 HB3 :: 2.920 HD1 :: 7.049 HD2 :: 7.049 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 :: 121.196(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.182(D) CA :: 45.546(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.240(D) HA2 :: 3.955 HA3 :: 3.955 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.755(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.47 C 0.44 R 0.07 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 176.921(D) CA :: 57.195(D) CB :: 32.766(D) CG :: 24.739 CD :: 29.057 CE :: 41.664 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.209(D) HA :: 4.141 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 1.467 HG3 :: 1.426 HD2 :: 1.683 HD3 :: 1.683 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.621(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.45 C 0.42 K 0.07 G 0.04 HN Overlap>> 1.N46 1.E60 1.N46 1.E60 C Shift Assignments>> C :: 177.022 CA :: 57.741(D) CB :: 30.093 CG :: 26.898 CD :: 43.132 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 :: 8.348(D) HA :: 4.149 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 1.633 HG3 :: 1.633 HD2 :: 3.152 HD3 :: 3.152 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.110(D) 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.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 Y 0.15 D 0.14 F 0.13 C 0.13 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 176.096 CA :: 54.740 CB :: 38.555 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 :: 8.221 HA :: 4.574 HB2 :: 2.775 HB3 :: 2.775 HD21 :: 7.715 HD22 :: 7.010 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 :: 117.915 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 C 0.04 I 0.01 L 0.01 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 177.889(D) CA :: 54.276(D) CB :: 19.013(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.259(D) HA :: 4.051 HB1 :: 1.291(D) HB2 :: 1.291(D) HB3 :: 1.291(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.728(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.778(D) CA :: 64.467(D) CB :: 31.837(D) CG1 :: 22.235 CG2 :: 21.458 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 :: 7.960(D) HA :: 3.662 HB :: 2.173 HG11 :: 1.026 HG12 :: 1.026 HG13 :: 1.026 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 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 :: 116.137(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.35 C 0.33 K 0.12 Q 0.12 I 0.05 C Shift Assignments>> C :: 178.077(D) CA :: 58.250(D) CB :: 29.748(D) CG :: 35.619 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.942(D) HA :: 4.034 HB2 :: 2.097 HB3 :: 2.097 HG2 :: 2.365 HG3 :: 2.365 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.187(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.543 CA :: 64.713(D) CB :: 32.244(D) CG1 :: 21.976 CG2 :: 21.372 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 :: 7.839(D) HA :: 3.758 HB :: 2.153 HG11 :: 1.024 HG12 :: 1.024 HG13 :: 1.024 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 118.706(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 C 0.33 R 0.01 C Shift Assignments>> C :: 177.086(D) CA :: 56.483(D) CB :: 41.818(D) CG :: 26.639 CD1 :: 24.998 CD2 :: 23.444 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 :: 7.936(D) HA :: 4.044 HB2 :: 1.563 HB3 :: 1.563 HG :: 1.793 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 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 :: 121.065(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 176.558(D) CA :: 57.341(D) CB :: 32.940(D) CG :: 25.171 CD :: 29.489 CE :: 41.836 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 :: 7.859(D) HA :: 4.061 HB2 :: 1.843 HB3 :: 1.843 HG2 :: 1.413 HG3 :: 1.413 HD2 :: 1.643 HD3 :: 1.576 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 :: 116.945(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.47 C 0.39 K 0.06 G 0.05 C Shift Assignments>> C :: 176.118(D) CA :: 56.450(D) CB :: 31.199(D) CG :: 26.984 CD :: 43.218 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 :: 7.822(D) HA :: 4.325 HB2 :: 1.938 HB3 :: 1.853 HG2 :: 1.683 HG3 :: 1.683 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 :: 119.035(D) 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.E60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.33 K 0.29 C 0.24 E 0.08 R 0.03 HN Overlap>> 1.R51 1.R51 C Shift Assignments>> C :: 174.486 CA :: 55.567(D) CB :: 29.143 CG :: 33.979 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 :: 8.297(D) HA :: 4.569 HB2 :: 2.070 HB3 :: 2.070 HG2 :: 2.370 HG3 :: 2.468 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.017(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.240(D) CA :: 64.603(D) CB :: 31.837(D) CG :: 27.589 CD :: 50.385 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 :: 4.411 HB2 :: 2.193 HB3 :: 1.923 HG2 :: 2.030 HG3 :: 2.030 HD2 :: 3.774 HD3 :: 3.691 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.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 C 0.33 A 0.01 R 0.01 HN Overlap>> 1.N33 1.N33 C Shift Assignments>> C :: 177.516 CA :: 56.110(D) CB :: 41.491 CG :: 26.898 CD1 :: 24.739 CD2 :: 23.444 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 :: 8.223(D) HA :: 4.175 HB2 :: 1.729 HB3 :: 1.729 HG :: 1.543 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.330(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.15 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 C Shift Assignments>> C :: 174.990 CA :: 53.916 CB :: 38.555 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 :: 8.105 HA :: 4.551 HB2 :: 2.672 HB3 :: 2.672 HD21 :: 6.807 HD22 :: 7.458 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 :: 116.776 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 C 0.16 I 0.14 D 0.03 L 0.03 N 0.01 C Shift Assignments>> C :: 174.798(D) CA :: 58.386(D) CB :: 39.265(D) 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 :: 7.799(D) HA :: 4.551 HB2 :: 2.870 HB3 :: 3.072 HD1 :: 7.079 HD2 :: 7.079 HE1 :: 6.814 HE2 :: 6.814 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 :: 118.058(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.76 C 0.15 A 0.03 R 0.02 G 0.01 C Shift Assignments>> C :: 175.309 CA :: 52.883(D) CB :: 42.009 CG :: 26.984 CD1 :: 25.430 CD2 :: 23.617 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 :: 7.636(D) HA :: 4.510 HB2 :: 1.432 HB3 :: 1.432 HG :: 1.704 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.911 HD22 :: 0.911 HD23 :: 0.911 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 :: 120.738(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.755(D) CA :: 62.972(D) CB :: 30.677(D) CG :: 27.330 CD :: 50.089 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 :: 4.437 HB2 :: 2.144 HB3 :: 2.012 HG2 :: 1.819 HG3 :: 1.819 HD2 :: 3.432 HD3 :: 3.753 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.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.66 C 0.24 R 0.03 G 0.02 A 0.02 C Shift Assignments>> C :: 176.910(D) CA :: 54.887(D) CB :: 42.631(D) CG :: 26.725 CD1 :: 24.998 CD2 :: 23.444 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 :: 7.929(D) HA :: 4.289 HB2 :: 1.589 HB3 :: 1.589 HG :: 1.574 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 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 :: 120.926(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.5 C 0.4 R 0.07 C Shift Assignments>> C :: 176.206(D) CA :: 56.042(D) CB :: 33.172(D) CG :: 24.567 CD :: 29.316 CE :: 42.009 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 :: 8.249(D) HA :: 4.281 HB2 :: 1.790 HB3 :: 1.716 HG2 :: 1.424 HG3 :: 1.424 HD2 :: 1.576 HD3 :: 1.576 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 :: 121.337(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.5 C 0.4 R 0.08 C Shift Assignments>> C :: 176.250(D) CA :: 56.151(D) CB :: 33.288(D) CG :: 24.480 CD :: 29.143 CE :: 42.009 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.309(D) HA :: 4.274 HB2 :: 1.775 HB3 :: 1.705 HG2 :: 1.411 HG3 :: 1.411 HD2 :: 1.575 HD3 :: 1.575 HE2 :: 2.992 HE3 :: 2.992 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.227(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.5 C 0.41 R 0.06 C Shift Assignments>> C :: 176.114 CA :: 56.267(D) CB :: 33.390(D) CG :: 24.567 CD :: 29.316 CE :: 42.009 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 :: 8.337(D) HA :: 4.259 HB2 :: 1.776 HB3 :: 1.726 HG2 :: 1.411 HG3 :: 1.411 HD2 :: 1.655 HD3 :: 1.655 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.548(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.49 C 0.41 R 0.08 C Shift Assignments>> C :: 175.139(D) CA :: 56.348(D) CB :: 33.230(D) CG :: 24.567 CD :: 29.057 CE :: 41.923 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 :: 8.352(D) HA :: 4.269 HB2 :: 1.813 HB3 :: 1.726 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.720(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.21 K 0.19 F 0.09 R 0.08 Y 0.06 C 0.05 N 0.03 C Shift Assignments>> CA :: 55.071 CB :: 41.956 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.959(D) HA :: 4.289 HB2 :: 2.595 HB3 :: 2.595 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 :: 127.514(D) Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 13 #Clerical: 59 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 71 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 72 #Suspicious: 0 C Shift Results: #Consistent: 129 #Duplicate: 165 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 372 #Duplicate: 89 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 11 #Duplicate: 56 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P2 C = 176.723(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8573e-01 1.P2 CA = 63.244(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5488e-01 1.P2 CB = 32.070(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.5210e-01 1.I3 C = 176.382(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.8172e-01 1.I3 CA = 61.342(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.2034e-01 1.I3 CB = 38.646(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9368e-01 1.I3 CG1 = 27.359(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.3450e-01 1.I3 CG2 = 17.483(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.7243e-01 1.I3 CD1 = 12.937(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.6783e-01 1.I3 H = 8.194(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.9936e-01 1.I3 HA = 4.132(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.3169e-01 1.I3 HB = 1.751(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.2034e-01 1.I3 N = 121.105(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3390e-01 1.E4 CA = 56.620(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3768e-01 1.E4 CB = 30.495(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7796e-01 1.E4 CG = 36.217(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.2835e-01 1.E4 H = 8.441(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5077e-01 1.E4 HA = 4.253(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9416e-01 1.E4 N = 124.755(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4045e-01 1.S5 CA = 58.761(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.8420e-01 1.S5 H = 8.295(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7972e-01 1.S5 N = 116.816(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7897e-01 1.V8 C = 176.239(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4458e-01 1.V8 CA = 62.802(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1313e-01 1.V8 CB = 32.611(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4700e-01 1.V8 CG1 = 21.559(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.5954e-01 1.V8 CG2 = 20.618(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.8068e-01 1.V8 H = 8.051(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2130e-01 1.V8 HA = 4.168(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.6974e-01 1.V8 N = 121.026(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7997e-01 1.E9 CA = 56.824(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.1241e-01 1.E9 CB = 29.789(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9776e-01 1.E9 CG = 36.216(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.2902e-01 1.E9 H = 8.432(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6274e-01 1.E9 HA = 4.463(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.0340e-01 1.E9 HB2 = 1.924(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.4757e-01 1.E9 HB3 = 1.839(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.1149e-01 1.E9 HG2 = 2.064(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.2662e-01 1.E9 HG3 = 2.064(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.9786e-01 1.E9 N = 124.205(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.0972e-01 1.T15 C = 175.040(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.7634e-01 1.T15 CA = 60.492(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.0466e-01 1.T15 CB = 71.528(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.7000e-01 1.T15 H = 7.467(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1248e-01 1.T15 N = 108.414(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.4023e-01 1.A16 C = 180.024(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8359e-01 1.A16 CA = 55.571(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1953e-01 1.A16 CB = 18.433(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5253e-01 1.A16 H = 9.364(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2380e-02 1.A16 N = 123.611(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1429e-01 1.T17 C = 175.920(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.3299e-01 1.T17 CA = 65.663(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.8373e-01 1.T17 CB = 68.660(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.1154e-01 1.T17 H = 8.315(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0372e-01 1.T17 HB = 4.360(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.6478e-01 1.T17 HG21 = 1.365(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2795e-01 1.T17 HG22 = 1.365(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2795e-01 1.T17 HG23 = 1.365(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2795e-01 1.T17 N = 112.871(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9152e-01 1.C18 C = 176.525(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.4674e-01 1.C18 CA = 58.557(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.3848e-01 1.C18 CB = 41.547(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.3181e-01 1.C18 H = 8.005(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.6554e-01 1.C18 HA = 4.185(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.8779e-01 1.C18 N = 120.610(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.2445e-01 1.A19 C = 179.122(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.1645e-01 1.A19 CA = 55.635(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0763e-01 1.A19 CB = 18.502(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8132e-01 1.A19 H = 8.266(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1241e-01 1.A19 HA = 4.193(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.7897e-01 1.A19 HB1 = 1.595(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4604e-01 1.A19 HB2 = 1.595(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4604e-01 1.A19 HB3 = 1.595(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4604e-01 1.A19 N = 122.812(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0601e-01 1.T20 C = 176.492(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.6739e-01 1.T20 CA = 66.607(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0299e-02 1.T20 CB = 68.588(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.8354e-01 1.T20 CG2 = 22.020(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.7199e-01 1.T20 H = 8.255(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8070e-01 1.T20 HA = 3.873(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.2136e-01 1.T20 HB = 4.378(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.2850e-01 1.T20 HG21 = 1.120(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T20 HG22 = 1.120(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T20 HG23 = 1.120(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T20 N = 111.088(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.6177e-01 1.Q21 C = 178.385(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.8728e-01 1.Q21 CA = 59.134(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3087e-01 1.Q21 CB = 28.849(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5138e-01 1.Q21 CG = 34.179(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.0582e-01 1.Q21 H = 7.873(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.5644e-01 1.Q21 HA = 4.183(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.4326e-01 1.Q21 HB2 = 2.097(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.5088e-01 1.Q21 HB3 = 2.097(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.8332e-01 1.Q21 HG2 = 2.387(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.0402e-01 1.Q21 HG3 = 2.297(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8074e-01 1.Q21 N = 121.477(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.5933e-01 1.R22 C = 179.485(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.2983e-01 1.R22 CA = 59.134(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.0613e-01 1.R22 CB = 30.155(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6584e-01 1.R22 H = 8.112(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3380e-01 1.R22 N = 119.063(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.3692e-01 1.L23 C = 177.900(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4581e-01 1.L23 CA = 58.081(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4793e-01 1.L23 CB = 41.702(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4639e-01 1.L23 H = 8.216(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8282e-01 1.L23 N = 120.542(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3540e-01 1.A24 C = 179.067(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3328e-01 1.A24 CA = 55.839(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7284e-01 1.A24 CB = 18.201(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5843e-01 1.A24 H = 8.529(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8346e-01 1.A24 N = 121.002(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.2910e-01 1.N25 C = 177.361(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.4274e-01 1.N25 CA = 56.144(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.6602e-01 1.N25 CB = 38.627(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.7026e-01 1.N25 H = 8.214(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4148e-01 1.N25 N = 114.787(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.0393e-01 1.F26 C = 177.736(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.4450e-01 1.F26 CA = 60.900(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.7252e-01 1.F26 CB = 39.439(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.9206e-01 1.F26 H = 8.051(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6780e-01 1.F26 N = 120.227(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.5745e-01 1.L27 C = 178.451(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.6059e-01 1.L27 CA = 57.673(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3512e-01 1.L27 CB = 41.644(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2315e-01 1.L27 H = 8.407(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8539e-01 1.L27 N = 119.702(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8004e-01 1.V28 C = 177.680(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.7827e-01 1.V28 CA = 65.656(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6830e-01 1.V28 CB = 31.837(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.1786e-01 1.V28 H = 8.081(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.5509e-01 1.V28 N = 117.002(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6206e-01 1.H29 C = 177.075(D), Expected = 175.25, Std = 1.9700, ChiSquare = 3.5424e-01 1.H29 CA = 58.454(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.0246e-01 1.H29 CB = 30.561(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.7676e-01 1.H29 H = 7.868(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.8434e-01 1.H29 N = 118.260(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.2072e-01 1.S30 C = 174.963(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4194e-01 1.S30 CA = 60.322(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3898e-01 1.S30 CB = 63.636(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1177e-01 1.S30 H = 7.927(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.4964e-01 1.S30 N = 114.931(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0154e-01 1.S31 C = 175.106(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7752e-01 1.S31 CA = 60.119(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9914e-01 1.S31 CB = 63.288(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.2938e-01 1.S31 H = 7.996(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.3026e-01 1.S31 N = 116.255(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9433e-01 1.N32 C = 175.733(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.9590e-01 1.N32 CA = 54.579(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.8050e-01 1.N32 CB = 38.685(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9764e-01 1.N32 H = 8.099(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.0206e-01 1.N32 N = 119.571(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.7362e-01 1.N33 C = 175.810(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.6290e-01 1.N33 CA = 53.868(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6150e-01 1.N33 CB = 38.801(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4763e-01 1.N33 H = 8.133(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.4248e-01 1.N33 N = 117.356(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.9611e-01 1.F34 C = 176.965(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.3752e-01 1.F34 CA = 59.847(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.9174e-01 1.F34 CB = 38.975(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.2722e-01 1.F34 H = 8.257(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8625e-01 1.F34 N = 119.584(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.3587e-01 1.G35 C = 175.315(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.4212e-01 1.G35 CA = 47.007(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1625e-01 1.G35 H = 8.627(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4773e-01 1.G35 HA2 = 4.119(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.8717e-01 1.G35 HA3 = 4.119(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.5392e-01 1.G35 N = 107.077(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0284e-01 1.A36 C = 179.595(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.8381e-01 1.A36 CA = 53.902(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.0035e-01 1.A36 CB = 18.607(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2570e-01 1.A36 H = 7.903(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2060e-01 1.A36 N = 123.018(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5225e-01 1.I37 C = 177.196(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8328e-01 1.I37 CA = 63.482(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.8486e-01 1.I37 CB = 38.279(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.6205e-01 1.I37 H = 7.796(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7661e-01 1.I37 N = 117.775(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8925e-01 1.L38 C = 177.768(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.9437e-01 1.L38 CA = 56.144(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0567e-01 1.L38 CB = 41.760(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.6986e-01 1.L38 H = 7.929(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4331e-01 1.L38 N = 119.309(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.1305e-01 1.S39 C = 175.029(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.1204e-01 1.S39 CA = 59.575(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.7957e-01 1.S39 CB = 63.695(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4344e-01 1.S39 H = 7.951(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7710e-01 1.S39 N = 113.175(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7772e-01 1.S40 C = 174.655(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8377e-01 1.S40 CA = 59.303(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.7822e-01 1.S40 CB = 63.927(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.3162e-01 1.S40 H = 8.029(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7053e-01 1.S40 N = 116.530(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4338e-01 1.T41 C = 174.182(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.3882e-01 1.T41 CA = 62.361(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5658e-01 1.T41 CB = 69.845(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.4375e-01 1.T41 H = 7.856(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3568e-01 1.T41 N = 114.105(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8190e-01 1.N42 C = 175.359(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6035e-01 1.N42 CA = 53.461(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.6648e-01 1.N42 CB = 38.801(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4763e-01 1.N42 H = 8.437(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.7763e-01 1.N42 N = 120.344(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2569e-01 1.V43 C = 176.316(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.1413e-01 1.V43 CA = 62.972(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.6617e-01 1.V43 CB = 32.302(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1102e-01 1.V43 H = 8.069(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4151e-01 1.V43 N = 119.076(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.4938e-01 1.G44 CA = 45.512(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0377e-01 1.G44 H = 8.452(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5112e-01 1.G44 N = 110.707(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8873e-01 1.Y48 C = 176.085(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.3068e-01 1.Y48 CA = 58.454(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.9729e-01 1.Y48 CB = 38.685(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.6877e-01 1.Y48 H = 8.118(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8200e-01 1.Y48 N = 121.196(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.7213e-01 1.G49 C = 174.182(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6819e-01 1.G49 CA = 45.546(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8371e-01 1.G49 H = 8.240(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8988e-01 1.G49 N = 108.755(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1310e-01 1.K50 C = 176.921(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.8827e-01 1.K50 CA = 57.195(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1133e-01 1.K50 CB = 32.766(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8924e-01 1.K50 H = 8.209(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7474e-01 1.K50 N = 120.621(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0940e-01 1.R51 CA = 57.741(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.7423e-01 1.R51 H = 8.348(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.5947e-01 1.R51 N = 120.110(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.5127e-01 1.A53 C = 177.889(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4423e-01 1.A53 CA = 54.276(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.6615e-01 1.A53 CB = 19.013(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.9869e-01 1.A53 H = 8.259(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2167e-01 1.A53 HB1 = 1.291(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2048e-01 1.A53 HB2 = 1.291(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2048e-01 1.A53 HB3 = 1.291(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2048e-01 1.A53 N = 122.728(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8723e-01 1.V54 C = 176.778(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.4221e-01 1.V54 CA = 64.467(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8940e-01 1.V54 CB = 31.837(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.1786e-01 1.V54 H = 7.960(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2234e-01 1.V54 N = 116.137(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.7047e-01 1.E55 C = 178.077(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.3593e-01 1.E55 CA = 58.250(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.5634e-01 1.E55 CB = 29.748(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7893e-01 1.E55 H = 7.942(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1078e-01 1.E55 N = 120.187(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8961e-01 1.V56 CA = 64.713(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.3700e-01 1.V56 CB = 32.244(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.8600e-01 1.V56 H = 7.839(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0086e-01 1.V56 N = 118.706(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9187e-01 1.L57 C = 177.086(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.6133e-01 1.L57 CA = 56.483(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.8536e-01 1.L57 CB = 41.818(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.9355e-01 1.L57 H = 7.936(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5105e-01 1.L57 N = 121.065(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.3847e-01 1.K58 C = 176.558(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.6730e-01 1.K58 CA = 57.341(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5894e-01 1.K58 CB = 32.940(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3284e-01 1.K58 H = 7.859(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8118e-01 1.K58 N = 116.945(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7622e-01 1.R59 C = 176.118(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.8563e-01 1.R59 CA = 56.450(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.8982e-01 1.R59 CB = 31.199(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.8510e-01 1.R59 H = 7.822(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9319e-01 1.R59 N = 119.035(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.3150e-01 1.E60 CA = 55.567(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0161e-01 1.E60 H = 8.297(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5540e-01 1.E60 N = 120.017(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5116e-01 1.P61 C = 177.240(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.4556e-01 1.P61 CA = 64.603(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.0231e-01 1.P61 CB = 31.837(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.9121e-01 1.L62 CA = 56.110(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1806e-01 1.L62 H = 8.223(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9141e-01 1.L62 N = 117.330(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4542e-01 1.Y64 C = 174.798(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.6226e-01 1.Y64 CA = 58.386(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.1876e-01 1.Y64 CB = 39.265(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.7969e-01 1.Y64 H = 7.799(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.7541e-01 1.Y64 N = 118.058(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.5775e-01 1.L65 CA = 52.883(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9880e-01 1.L65 H = 7.636(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6080e-01 1.L65 N = 120.738(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7358e-01 1.P66 C = 175.755(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.0993e-01 1.P66 CA = 62.972(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.1380e-01 1.P66 CB = 30.677(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.2019e-01 1.L67 C = 176.910(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.6777e-01 1.L67 CA = 54.887(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3075e-01 1.L67 CB = 42.631(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6442e-01 1.L67 H = 7.929(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4331e-01 1.L67 N = 120.926(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1073e-01 1.K68 C = 176.206(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.2821e-01 1.K68 CA = 56.042(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.7981e-01 1.K68 CB = 33.172(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3007e-01 1.K68 H = 8.249(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.2167e-01 1.K68 N = 121.337(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3932e-01 1.K69 C = 176.250(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.4539e-01 1.K69 CA = 56.151(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1647e-01 1.K69 CB = 33.288(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.7965e-01 1.K69 H = 8.309(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4278e-01 1.K69 N = 123.227(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6363e-01 1.K70 CA = 56.267(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.5622e-01 1.K70 CB = 33.390(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.3606e-01 1.K70 H = 8.337(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0646e-01 1.K70 N = 123.548(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.0759e-01 1.K71 C = 175.139(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.5295e-01 1.K71 CA = 56.348(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.8436e-01 1.K71 CB = 33.230(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0476e-01 1.K71 H = 8.352(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8716e-01 1.K71 N = 123.720(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.7881e-01 1.D72 H = 7.959(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.4506e-01 1.D72 N = 127.514(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5365e-02