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.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.99 C Shift Assignments>> C :: 176.6 CA :: 56.83 CB :: 33.26 CG :: 24.73 CD :: 29.18 CE :: 42.15 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>> HB2 :: 1.832 HG2 :: 1.439 HG3 :: 1.439 HD2 :: 1.672 HD3 :: 1.672 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) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8 CA :: 58.36 CB :: 63.72 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.529 HA :: 4.438 HB2 :: 3.847 HB3 :: 3.838 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 :: 117.8 Ave N Shift Values>> N :: 116.28(3.52) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 177.8 CA :: 55.64 CB :: 42.25 CG :: 27.06 CD1 :: 25.07 CD2 :: 23.35 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 :: 8.533 HA :: 4.42 HB2 :: 1.681 HB3 :: 1.698 HG :: 1.673 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.9277 HD22 :: 0.9277 HD23 :: 0.9277 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.7 Ave N Shift Values>> N :: 121.86(3.9) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.6 CA :: 62.01 CB :: 69.74 CG2 :: 21.67 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 :: 8.12 HA :: 4.322 HB :: 4.238 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 113.7 Ave N Shift Values>> N :: 115.42(4.75) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 Q 0.29 M 0.18 K 0.15 I 0.01 C Shift Assignments>> C :: 176.1 CA :: 56.7 CB :: 30.43 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 :: 8.329 HA :: 4.267 HB2 :: 1.947 HB3 :: 1.947 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.1 Ave N Shift Values>> N :: 120.67(3.48) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.22 Y 0.09 L 0.06 C Shift Assignments>> C :: 175.2 CA :: 53.34 CB :: 38.87 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 :: 8.497 HA :: 4.647 HB2 :: 2.742 HB3 :: 2.732 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 :: 120.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.3 CA :: 56.7 CB :: 32.88 CG :: 24.5 CD :: 29.06 CE :: 42 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 :: 8.312 HA :: 4.247 HB2 :: 1.633 HB3 :: 1.626 HG2 :: 1.2 HG3 :: 1.215 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.931 HE3 :: 2.916 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 :: 121.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 I 0.22 E 0.06 D 0.06 L 0.04 N 0.03 M 0.01 C Shift Assignments>> C :: 175.9 CA :: 57.89 CB :: 38.6 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 :: 8.238 HA :: 4.614 HB2 :: 3.113 HB3 :: 2.934 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 :: 120.6 Ave N Shift Values>> N :: 120.52(4.2) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2 CA :: 58.28 CB :: 63.95 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.177 HA :: 4.401 HB2 :: 3.825 HB3 :: 3.82 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 :: 117.5 Ave N Shift Values>> N :: 116.28(3.52) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.38 E 0.1 M 0.07 C Shift Assignments>> C :: 175.9 CA :: 55.88 CB :: 29.25 CG :: 33.87 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 :: 8.44 HA :: 4.296 HB2 :: 2.076 HB3 :: 1.963 HG2 :: 2.369 HG3 :: 2.369 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 :: 122.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> C :: 177.2 CA :: 55.19 CB :: 42.34 CG :: 26.98 CD1 :: 24.99 CD2 :: 23.39 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 :: 8.267(D) HA :: 4.317 HB2 :: 1.596 HB3 :: 1.596 HG :: 1.607 HD11 :: 0.8927 HD12 :: 0.8927 HD13 :: 0.8927 HD21 :: 0.8955 HD22 :: 0.8955 HD23 :: 0.8955 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 :: 122.9(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.26 K 0.12 N 0.12 Y 0.09 C Shift Assignments>> C :: 176.2 CA :: 54.57 CB :: 41.07 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 :: 8.326 HA :: 4.57 HB2 :: 2.646 HB3 :: 2.624 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 :: 121.1 Ave N Shift Values>> N :: 120.65(3.86) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.19 Q 0.07 K 0.07 I 0.03 C Shift Assignments>> C :: 176.4(D) CA :: 56.53 CB :: 30.52 CG :: 36.33 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 :: 8.292 HA :: 4.252 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 2.248 HG3 :: 2.24 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 :: 120.8 Ave N Shift Values>> N :: 120.67(3.48) 1.E15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.63 M 0.15 K 0.08 Q 0.07 I 0.04 C Shift Assignments>> C :: 176.3(D) CA :: 56.54(D) CB :: 30.31(D) CG :: 36.34(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 :: 8.445(D) HA :: 4.245(D) HB2 :: 1.99(D) HB3 :: 1.99(D) HG2 :: 2.258(D) HG3 :: 2.259(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(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.35 K 0.29 E 0.15 M 0.09 L 0.09 C Shift Assignments>> C :: 173.8 CA :: 53.49(D) CB :: 28.93(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 :: 8.452(D) HA :: 4.592(D) HB2 :: 2.049(D) HB3 :: 1.928(D) HG2 :: 2.385(D) HG3 :: 2.385(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 :: 122.9(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.8(D) CA :: 63.14(D) CB :: 32.17(D) CG :: 27.52(D) CD :: 50.68(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) H Shift Assignments>> HA :: 4.409 HD2 :: 3.759 HD3 :: 3.626 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) N Shift Assignments>> N :: 137.3 Ave N Shift Values>> N :: 134.16(6.62) 1.M18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 Q 0.28 E 0.04 K 0.02 C Shift Assignments>> C :: 176.1(D) CA :: 55.41(D) CB :: 33.38(D) CG :: 31.93(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.53(D) HA :: 4.434(D) HB2 :: 2 HB3 :: 1.997 HG2 :: 2.604 HG3 :: 2.599 HE1 :: 2.021 HE2 :: 2.021 HE3 :: 2.021 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.4(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.62 M 0.16 K 0.08 Q 0.08 I 0.03 C Shift Assignments>> C :: 176(D) CA :: 56.35(D) CB :: 30.3(D) CG :: 36.3 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 :: 8.518(D) HA :: 4.353(D) HB2 :: 1.924(D) HB3 :: 1.924(D) HG2 :: 2.259(D) HG3 :: 2.25(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 :: 123.1(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.1 CA :: 60.94 CB :: 39.23 CG1 :: 26.9 CG2 :: 17.63 CD1 :: 13.13 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 :: 8.283 HA :: 4.246 HB :: 1.89 HG12 :: 1.442 HG13 :: 1.203 HG21 :: 0.9097 HG22 :: 0.9097 HG23 :: 0.9097 HD11 :: 0.8947 HD12 :: 0.8947 HD13 :: 0.8947 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.1 Ave N Shift Values>> N :: 121.46(4.28) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.3 D 0.21 Y 0.1 N 0.01 C Shift Assignments>> C :: 173.8 CA :: 55.96 CB :: 42.22 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 :: 8.031 HA :: 4.337 HB2 :: 2.59 HB3 :: 2.569 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 :: 129.7 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 14 #Clerical: 7 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 20 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 21 #Suspicious: 0 C Shift Results: #Consistent: 64 #Duplicate: 19 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 105 #Duplicate: 21 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 14 #Duplicate: 5 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L12 H = 8.267(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5461e-01 1.L12 N = 122.9(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8973e-01 1.E14 C = 176.4(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.0954e-01 1.E15 C = 176.3(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7005e-01 1.E15 CA = 56.54(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.0900e-01 1.E15 CB = 30.31(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.6154e-01 1.E15 CG = 36.34(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.4674e-01 1.E15 H = 8.445(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4546e-01 1.E15 HA = 4.245(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9027e-01 1.E15 HB2 = 1.99(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.8640e-01 1.E15 HB3 = 1.99(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.0000e+00 1.E15 HG2 = 2.258(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.5443e-01 1.E15 HG3 = 2.259(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.6737e-01 1.E15 N = 122(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0232e-01 1.Q16 CA = 53.49(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5008e-01 1.Q16 CB = 28.93(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8640e-01 1.Q16 H = 8.452(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9416e-01 1.Q16 HA = 4.592(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.6428e-01 1.Q16 HB2 = 2.049(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.9681e-01 1.Q16 HB3 = 1.928(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.4248e-01 1.Q16 HG2 = 2.385(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.0976e-01 1.Q16 HG3 = 2.385(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.4322e-01 1.Q16 N = 122.9(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.0309e-01 1.P17 C = 176.8(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7358e-01 1.P17 CA = 63.14(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0052e-01 1.P17 CB = 32.17(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.8625e-01 1.P17 CG = 27.52(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.4813e-01 1.P17 CD = 50.68(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.1613e-01 1.M18 C = 176.1(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.6947e-01 1.M18 CA = 55.41(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.5360e-01 1.M18 CB = 33.38(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.6178e-01 1.M18 CG = 31.93(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.4856e-01 1.M18 H = 8.53(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.5271e-01 1.M18 HA = 4.434(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.6012e-01 1.M18 N = 121.4(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.1366e-01 1.E19 C = 176(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.5549e-01 1.E19 CA = 56.35(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.4257e-01 1.E19 CB = 30.3(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.6611e-01 1.E19 H = 8.518(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5000e-01 1.E19 HA = 4.353(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.0164e-01 1.E19 HB2 = 1.924(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.4757e-01 1.E19 HB3 = 1.924(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.7415e-01 1.E19 HG2 = 2.259(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.5823e-01 1.E19 HG3 = 2.25(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.0000e+00 1.E19 N = 123.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8500e-01