Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.37 Q 0.35 R 0.15 E 0.06 V 0.04 C Shift Assignments>> C :: 176.434(D) CA :: 56.605(D) CB :: 33.228(D) 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) 1.N4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 D 0.23 Y 0.09 L 0.06 HN Overlap>> 1.N35 1.Q25 1.N35 1.Q25 C Shift Assignments>> C :: 175.276(D) CA :: 53.337(D) CB :: 38.957(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 :: 8.468(D) 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 :: 119.788(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.25 Q 0.2 K 0.18 V 0.02 HN Overlap>> 1.E28 1.K27 1.E28 1.K27 C Shift Assignments>> C :: 176.271(D) CA :: 56.393(D) CB :: 30.974(D) 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 :: 8.424(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.125(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.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 Q 0.36 R 0.14 E 0.05 V 0.03 C Shift Assignments>> C :: 176.336(D) CA :: 56.400(D) CB :: 33.298(D) 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 :: 8.471(D) 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 :: 123.023(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 L 0.01 HN Overlap>> 1.A9 1.A9 C Shift Assignments>> C :: 177.615(D) CA :: 52.479(D) CB :: 19.509(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.398(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.020(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.4 K 0.37 R 0.12 E 0.04 V 0.03 HN Overlap>> 1.D47 1.D47 C Shift Assignments>> C :: 176.400(D) CA :: 56.400(D) CB :: 33.500(D) 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 :: 8.430(D) 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 :: 121.691(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 HN Overlap>> 1.A7 1.A7 C Shift Assignments>> C :: 177.500(D) CA :: 52.308(D) CB :: 19.500(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.429(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.103(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 Q 0.25 R 0.25 E 0.09 V 0.01 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> C :: 174.700(D) CA :: 54.524(D) CB :: 32.607(D) 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 :: 8.480(D) 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 :: 122.782(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.48 V 0.47 I 0.01 C Shift Assignments>> C :: 176.800(D) CA :: 63.100(D) CB :: 32.200(D) 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) 1.V12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.6 P 0.31 K 0.02 R 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 176.500(D) CA :: 62.400(D) CB :: 33.000(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 :: 8.409(D) 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 :: 121.008(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.402(D) CA :: 61.706(D) CB :: 70.103(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 :: 8.341(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 :: 118.892(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.23 K 0.23 Q 0.17 V 0.02 HN Overlap>> 1.R56 1.R56 C Shift Assignments>> C :: 176.657(D) CA :: 56.290(D) CB :: 31.276(D) 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 :: 8.548(D) 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 :: 124.100(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.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 R 0.01 C Shift Assignments>> C :: 173.828(D) CA :: 45.253(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.542(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.550(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 L 0.01 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 178.414(D) CA :: 52.802(D) CB :: 19.492(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.352(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.873(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 R 0.01 HN Overlap>> 1.G19 1.G19 C Shift Assignments>> C :: 174.093(D) CA :: 45.269(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.492(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.246(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 L 0.01 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 178.412(D) CA :: 52.838(D) CB :: 19.417(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.297(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.862(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.09 HN Overlap>> 1.G17 1.G17 C Shift Assignments>> C :: 174.791(D) CA :: 45.447(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.502(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.202(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.297(D) CA :: 45.306(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.311(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.571(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.25 Q 0.2 K 0.19 V 0.02 HN Overlap>> 1.Q54 1.Q54 C Shift Assignments>> C :: 176.532(D) CA :: 56.340(D) CB :: 31.002(D) 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 :: 8.346(D) 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 :: 120.634(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.Q22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.27 E 0.23 R 0.23 K 0.22 I 0.01 L 0.01 C Shift Assignments>> C :: 176.105(D) CA :: 56.040(D) CB :: 29.588(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 :: 8.592(D) 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 :: 122.012(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.25 K 0.2 Q 0.19 V 0.02 C Shift Assignments>> C :: 176.879(D) CA :: 56.480(D) CB :: 31.101(D) 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 :: 8.586(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.993(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.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.G44 1.G44 C Shift Assignments>> C :: 174.002(D) CA :: 45.309(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.572(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.286(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.27 R 0.25 E 0.24 K 0.19 I 0.01 HN Overlap>> 1.Y49 1.Y49 1.N4 1.N4 C Shift Assignments>> C :: 175.897(D) CA :: 55.908(D) CB :: 29.837(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 :: 8.398(D) 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 :: 119.795(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.24 Y 0.1 L 0.07 C Shift Assignments>> C :: 175.294(D) CA :: 53.507(D) CB :: 39.007(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 :: 8.663(D) 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 :: 120.502(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 Q 0.34 R 0.15 E 0.06 V 0.04 HN Overlap>> 1.R5 1.R5 1.R46 1.R46 C Shift Assignments>> C :: 176.479(D) CA :: 56.491(D) CB :: 33.180(D) 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 :: 8.481(D) 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 :: 122.216(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.31 E 0.27 Q 0.23 K 0.14 V 0.01 I 0.01 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> C :: 176.301(D) CA :: 56.600(D) CB :: 30.587(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 :: 8.498(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 :: 122.090(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 Q 0.29 E 0.21 K 0.12 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 173.800(D) CA :: 54.200(D) CB :: 30.400(D) 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 :: 8.499(D) 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 :: 123.394(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.P30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.48 V 0.46 I 0.01 K 0.01 R 0.01 C Shift Assignments>> C :: 176.709(D) CA :: 62.839(D) CB :: 31.997(D) 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) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 K 0.24 R 0.13 Q 0.11 E 0.08 P 0.03 C Shift Assignments>> C :: 174.738(D) CA :: 59.891(D) CB :: 32.699(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 :: 8.207(D) 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 :: 120.825(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.49 V 0.47 I 0.01 C Shift Assignments>> C :: 176.336(D) CA :: 63.247(D) CB :: 32.209(D) 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) 1.N35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.74 D 0.17 Y 0.03 L 0.03 HN Overlap>> 1.N4 1.N4 C Shift Assignments>> C :: 173.844(D) CA :: 51.407(D) CB :: 38.833(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 :: 8.548(D) 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 :: 119.789(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.51 V 0.46 I 0.01 C Shift Assignments>> C :: 176.500(D) CA :: 63.690(D) CB :: 32.115(D) 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) 1.D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.27 K 0.14 N 0.09 Y 0.09 R 0.01 C Shift Assignments>> C :: 176.000(D) CA :: 54.696(D) CB :: 41.189(D) 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 :: 8.319(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.520(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.55 I 0.18 D 0.1 L 0.08 N 0.04 E 0.02 C Shift Assignments>> C :: 175.300(D) CA :: 57.700(D) CB :: 39.100(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 :: 7.931(D) 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 :: 119.893(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 Q 0.28 E 0.21 K 0.13 C Shift Assignments>> C :: 174.000(D) CA :: 54.200(D) CB :: 30.500(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 :: 8.141(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 :: 124.300(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.49 V 0.46 I 0.01 C Shift Assignments>> C :: 176.800(D) CA :: 63.100(D) CB :: 32.102(D) 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) 1.I41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 Y 0.28 E 0.01 C Shift Assignments>> C :: 176.500(D) CA :: 61.400(D) CB :: 38.598(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 :: 8.230(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.995(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.24 Q 0.2 K 0.19 V 0.01 C Shift Assignments>> C :: 176.200(D) CA :: 56.000(D) CB :: 31.000(D) 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 :: 8.511(D) 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 :: 126.002(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.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 Q 0.37 R 0.13 E 0.05 V 0.04 HN Overlap>> 1.R29 1.R29 C Shift Assignments>> C :: 177.114(D) CA :: 56.700(D) CB :: 33.370(D) 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 :: 8.510(D) 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 :: 123.496(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.1 R 0.01 HN Overlap>> 1.G24 1.G24 C Shift Assignments>> C :: 174.100(D) CA :: 45.304(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.589(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.382(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.27 R 0.25 E 0.25 K 0.19 I 0.01 C Shift Assignments>> C :: 176.200(D) CA :: 56.099(D) CB :: 29.888(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 :: 8.332(D) 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 :: 120.082(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.24 K 0.21 Q 0.18 V 0.02 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 175.997(D) CA :: 56.488(D) CB :: 31.190(D) 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 :: 8.541(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.210(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.D47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.28 K 0.15 N 0.09 Y 0.07 R 0.02 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 176.300(D) CA :: 54.391(D) CB :: 41.400(D) 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 :: 8.470(D) 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 :: 121.596(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.21 K 0.2 D 0.16 Y 0.06 N 0.01 G 0.01 C Shift Assignments>> C :: 177.300(D) CA :: 55.800(D) CB :: 42.500(D) 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 :: 8.239(D) 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 :: 122.899(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.56 I 0.23 D 0.06 L 0.05 E 0.04 N 0.03 HN Overlap>> 1.Q25 1.Q25 C Shift Assignments>> C :: 176.200(D) CA :: 58.000(D) CB :: 38.800(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 :: 8.291(D) 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 :: 119.801(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.000(D) CA :: 58.700(D) CB :: 64.000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.230(D) 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 :: 117.508(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.200(D) CA :: 45.500(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.110(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.407(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.23 K 0.18 D 0.17 Y 0.05 G 0.01 N 0.01 C Shift Assignments>> C :: 177.400(D) CA :: 55.500(D) CB :: 42.600(D) 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 :: 8.109(D) 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 :: 121.194(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.22 Y 0.1 L 0.06 C Shift Assignments>> C :: 175.200(D) CA :: 53.508(D) CB :: 38.803(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 :: 8.550(D) 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 :: 119.114(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.27 R 0.25 E 0.24 K 0.2 I 0.01 HN Overlap>> 1.R21 1.R21 C Shift Assignments>> C :: 175.800(D) CA :: 55.993(D) CB :: 29.800(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 :: 8.310(D) 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 :: 120.596(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.24 K 0.2 Q 0.19 V 0.02 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 176.000(D) CA :: 56.311(D) CB :: 31.100(D) 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 :: 8.441(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.691(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.R56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 E 0.25 Q 0.2 K 0.19 V 0.02 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> C :: 175.400(D) CA :: 56.299(D) CB :: 31.000(D) 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 :: 8.559(D) 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 :: 124.198(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.I57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.84 Y 0.15 C Shift Assignments>> C :: 172.500(D) CA :: 63.100(D) CB :: 39.700(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 :: 7.949(D) 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 :: 127.202(D) Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 4 #Clerical: 53 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 53 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 57 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 152 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 47 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 47 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K3 C = 176.434(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.1796e-01 1.K3 CA = 56.605(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7539e-01 1.K3 CB = 33.228(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0563e-01 1.N4 C = 175.276(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.9733e-01 1.N4 CA = 53.337(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.1401e-01 1.N4 CB = 38.957(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.7447e-01 1.N4 H = 8.468(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.3900e-01 1.N4 N = 119.788(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.3140e-01 1.R5 C = 176.271(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.4541e-01 1.R5 CA = 56.393(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.7036e-01 1.R5 CB = 30.974(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.8098e-01 1.R5 H = 8.424(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.6293e-01 1.R5 N = 122.125(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.1881e-01 1.K6 C = 176.336(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.7919e-01 1.K6 CA = 56.400(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0259e-01 1.K6 CB = 33.298(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.7534e-01 1.K6 H = 8.471(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.3955e-01 1.K6 N = 123.023(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0074e-01 1.A7 C = 177.615(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5320e-01 1.A7 CA = 52.479(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3850e-01 1.A7 CB = 19.509(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8510e-01 1.A7 H = 8.398(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4140e-01 1.A7 N = 126.020(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.3062e-01 1.K8 C = 176.400(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.0448e-01 1.K8 CA = 56.400(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0259e-01 1.K8 CB = 33.500(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8998e-01 1.K8 H = 8.430(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8916e-01 1.K8 N = 121.691(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6499e-01 1.A9 C = 177.500(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1029e-01 1.A9 CA = 52.308(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7434e-01 1.A9 CB = 19.500(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8888e-01 1.A9 H = 8.429(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0271e-01 1.A9 N = 126.103(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1703e-01 1.K10 C = 174.700(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.3205e-01 1.K10 CA = 54.524(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7015e-01 1.K10 CB = 32.607(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1811e-01 1.K10 H = 8.480(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2886e-01 1.K10 N = 122.782(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.4593e-01 1.P11 C = 176.800(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7358e-01 1.P11 CA = 63.100(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7973e-01 1.P11 CB = 32.200(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.6676e-01 1.V12 C = 176.500(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.4325e-01 1.V12 CA = 62.400(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7490e-01 1.V12 CB = 33.000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.8010e-01 1.V12 H = 8.409(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5903e-01 1.V12 N = 121.008(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7681e-01 1.T13 C = 174.402(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.3750e-01 1.T13 CA = 61.706(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4269e-01 1.T13 CB = 70.103(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.1900e-01 1.T13 H = 8.341(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.7059e-01 1.T13 N = 118.892(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.6481e-01 1.R14 C = 176.657(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.0316e-01 1.R14 CA = 56.290(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3539e-01 1.R14 CB = 31.276(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.5295e-01 1.R14 H = 8.548(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.1362e-01 1.R14 N = 124.100(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.6986e-01 1.G15 C = 173.828(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8218e-01 1.G15 CA = 45.253(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4229e-01 1.G15 H = 8.542(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4431e-01 1.G15 N = 110.550(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2012e-01 1.A16 C = 178.414(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.5167e-01 1.A16 CA = 52.802(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6445e-01 1.A16 CB = 19.492(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9225e-01 1.A16 H = 8.352(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0001e-01 1.A16 N = 123.873(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5587e-01 1.G17 C = 174.093(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.0558e-01 1.G17 CA = 45.269(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5180e-01 1.G17 H = 8.492(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0318e-01 1.G17 N = 108.246(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.1290e-01 1.A18 C = 178.412(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.5239e-01 1.A18 CA = 52.838(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7877e-01 1.A18 CB = 19.417(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2400e-01 1.A18 H = 8.297(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7157e-01 1.A18 N = 123.862(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5831e-01 1.G19 C = 174.791(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2421e-01 1.G19 CA = 45.447(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4229e-01 1.G19 H = 8.502(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9131e-01 1.G19 N = 108.202(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0444e-01 1.G20 C = 174.297(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.2032e-01 1.G20 CA = 45.306(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7381e-01 1.G20 H = 8.311(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7668e-01 1.G20 N = 108.571(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7643e-01 1.R21 C = 176.532(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.5208e-01 1.R21 CA = 56.340(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.5233e-01 1.R21 CB = 31.002(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6892e-01 1.R21 H = 8.346(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6205e-01 1.R21 N = 120.634(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.6402e-01 1.Q22 C = 176.105(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.1627e-01 1.Q22 CA = 56.040(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.0439e-01 1.Q22 CB = 29.588(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.2690e-01 1.Q22 H = 8.592(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.2836e-01 1.Q22 N = 122.012(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.5556e-01 1.R23 C = 176.879(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.1729e-01 1.R23 CA = 56.480(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.0010e-01 1.R23 CB = 31.101(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.2655e-01 1.R23 H = 8.586(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.7057e-01 1.R23 N = 122.993(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.5123e-01 1.G24 C = 174.002(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4402e-01 1.G24 CA = 45.309(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7559e-01 1.G24 H = 8.572(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0966e-01 1.G24 N = 110.286(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7353e-01 1.Q25 C = 175.897(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3227e-01 1.Q25 CA = 55.908(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.5706e-01 1.Q25 CB = 29.837(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.2222e-01 1.Q25 H = 8.398(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6288e-01 1.Q25 N = 119.795(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7895e-01 1.N26 C = 175.294(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.8930e-01 1.N26 CA = 53.507(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.8600e-01 1.N26 CB = 39.007(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5121e-01 1.N26 H = 8.663(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.0816e-01 1.N26 N = 120.502(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.9648e-01 1.K27 C = 176.479(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3584e-01 1.K27 CA = 56.491(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3473e-01 1.K27 CB = 33.180(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2657e-01 1.K27 H = 8.481(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2768e-01 1.K27 N = 122.216(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.5711e-01 1.E28 C = 176.301(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7044e-01 1.E28 CA = 56.600(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3047e-01 1.E28 CB = 30.587(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3727e-01 1.E28 H = 8.498(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7584e-01 1.E28 N = 122.090(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8324e-01 1.R29 C = 173.800(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.9854e-01 1.R29 CA = 54.200(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.6590e-01 1.R29 CB = 30.400(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6978e-01 1.R29 H = 8.499(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.7114e-01 1.R29 N = 123.394(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.8088e-01 1.P32 C = 176.709(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7834e-01 1.P32 CA = 62.839(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.4668e-01 1.P32 CB = 31.997(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.0086e-01 1.V33 C = 174.738(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.4250e-01 1.V33 CA = 59.891(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6349e-01 1.V33 CB = 32.699(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8618e-01 1.V33 H = 8.207(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0141e-01 1.V33 N = 120.825(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4468e-01 1.P34 C = 176.336(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.8395e-01 1.P34 CA = 63.247(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5645e-01 1.P34 CB = 32.209(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.6095e-01 1.N35 C = 173.844(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.2566e-01 1.N35 CA = 51.407(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5655e-01 1.N35 CB = 38.833(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.3257e-01 1.N35 H = 8.548(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.4128e-01 1.N35 N = 119.789(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.3121e-01 1.P36 C = 176.500(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.6850e-01 1.P36 CA = 63.690(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.1278e-01 1.P36 CB = 32.115(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.2231e-01 1.D37 C = 176.000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.1920e-01 1.D37 CA = 54.696(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.9764e-01 1.D37 CB = 41.189(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.4873e-01 1.D37 H = 8.319(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8762e-01 1.D37 N = 119.520(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6972e-01 1.Y38 C = 175.300(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.5992e-01 1.Y38 CA = 57.700(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.6398e-01 1.Y38 CB = 39.100(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.1887e-01 1.Y38 H = 7.931(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.9412e-01 1.Y38 N = 119.893(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.8133e-01 1.E39 C = 174.000(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.4108e-01 1.E39 CA = 54.200(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.3548e-01 1.E39 CB = 30.500(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7573e-01 1.E39 H = 8.141(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4871e-01 1.E39 N = 124.300(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9690e-01 1.P40 C = 176.800(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7358e-01 1.P40 CA = 63.100(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7973e-01 1.P40 CB = 32.102(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.3089e-01 1.I41 C = 176.500(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.3495e-01 1.I41 CA = 61.400(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.3754e-01 1.I41 CB = 38.598(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8736e-01 1.I41 H = 8.230(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4139e-01 1.I41 N = 120.995(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1348e-01 1.R42 C = 176.200(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1761e-01 1.R42 CA = 56.000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3888e-01 1.R42 CB = 31.000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6978e-01 1.R42 H = 8.511(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5685e-01 1.R42 N = 126.002(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.5748e-01 1.K43 C = 177.114(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.1266e-01 1.K43 CA = 56.700(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0953e-01 1.K43 CB = 33.370(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.4454e-01 1.K43 H = 8.510(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9380e-01 1.K43 N = 123.496(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1646e-01 1.G44 C = 174.100(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.0263e-01 1.G44 CA = 45.304(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7262e-01 1.G44 H = 8.589(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9029e-01 1.G44 N = 110.382(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5403e-01 1.Q45 C = 176.200(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.5502e-01 1.Q45 CA = 56.099(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2580e-01 1.Q45 CB = 29.888(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0134e-01 1.Q45 H = 8.332(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4944e-01 1.Q45 N = 120.082(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.5747e-01 1.R46 C = 175.997(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.3878e-01 1.R46 CA = 56.488(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.0284e-01 1.R46 CB = 31.190(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.8888e-01 1.R46 H = 8.541(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2170e-01 1.R46 N = 122.210(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.0161e-01 1.D47 C = 176.300(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.5443e-01 1.D47 CA = 54.391(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8290e-01 1.D47 CB = 41.400(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.4822e-01 1.D47 H = 8.470(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8265e-01 1.D47 N = 121.596(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0640e-01 1.L48 C = 177.300(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7559e-01 1.L48 CA = 55.800(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.3265e-01 1.L48 CB = 42.500(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1950e-01 1.L48 H = 8.239(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8895e-01 1.L48 N = 122.899(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8992e-01 1.Y49 C = 176.200(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.8768e-01 1.Y49 CA = 58.000(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.5869e-01 1.Y49 CB = 38.800(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.0976e-01 1.Y49 H = 8.291(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.6831e-01 1.Y49 N = 119.801(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6407e-01 1.S50 C = 175.000(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.2515e-01 1.S50 CA = 58.700(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9229e-01 1.S50 CB = 64.000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9251e-01 1.S50 H = 8.230(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3246e-01 1.S50 N = 117.508(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.2719e-01 1.G51 C = 174.200(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6066e-01 1.G51 CA = 45.500(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G51 H = 8.110(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3502e-01 1.G51 N = 110.407(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4896e-01 1.L52 C = 177.400(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3595e-01 1.L52 CA = 55.500(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5507e-01 1.L52 CB = 42.600(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7741e-01 1.L52 H = 8.109(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5232e-01 1.L52 N = 121.194(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6441e-01 1.N53 C = 175.200(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6881e-01 1.N53 CA = 53.508(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.8642e-01 1.N53 CB = 38.803(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4669e-01 1.N53 H = 8.550(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.3888e-01 1.N53 N = 119.114(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.6358e-01 1.Q54 C = 175.800(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.9368e-01 1.Q54 CA = 55.993(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8745e-01 1.Q54 CB = 29.800(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.3750e-01 1.Q54 H = 8.310(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.7876e-01 1.Q54 N = 120.596(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4452e-01 1.R55 C = 176.000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.3994e-01 1.R55 CA = 56.311(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.4250e-01 1.R55 CB = 31.100(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.2698e-01 1.R55 H = 8.441(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.4177e-01 1.R55 N = 122.691(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.0735e-01 1.R56 C = 175.400(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.1881e-01 1.R56 CA = 56.299(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3843e-01 1.R56 CB = 31.000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6978e-01 1.R56 H = 8.559(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.0101e-01 1.R56 N = 124.198(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.5581e-01 1.I57 C = 172.500(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.1021e-02 1.I57 CA = 63.100(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.7823e-01 1.I57 CB = 39.700(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.9632e-01 1.I57 H = 7.949(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.2642e-01 1.I57 N = 127.202(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.7973e-01