Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 E 0.15 W 0.15 Q 0.15 K 0.09 M 0.07 C Shift Assignments>> C :: 176.314(D) CA :: 56.396(D) CB :: 30.117(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 :: 8.600 HA :: 4.236 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 :: 122.405 Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.22 K 0.2 R 0.09 F 0.09 Y 0.06 N 0.02 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 177.416(D) CA :: 55.123(D) CB :: 42.006(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 :: 8.442(D) HA :: 4.317 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.833(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.22 Q 0.16 R 0.11 H 0.1 W 0.07 E 0.05 V 0.02 HN Overlap>> 1.D66 1.D38 1.D66 1.D38 C Shift Assignments>> C :: 176.308(D) CA :: 56.409(D) CB :: 32.832(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 :: 8.436(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 :: 122.340(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.19 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.139(D) CA :: 53.232(D) CB :: 38.820(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 :: 8.536(D) HA :: 4.710 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 :: 119.717(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.581(D) CA :: 58.385(D) CB :: 63.684(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.371(D) HA :: 4.457 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 :: 116.289(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 Y 0.22 F 0.19 E 0.01 HN Overlap>> 1.K31 1.D16 1.K31 1.D16 C Shift Assignments>> C :: 176.454(D) CA :: 61.415(D) CB :: 38.506(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 :: 8.290(D) HA :: 4.186 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 :: 122.450(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.094(D) CA :: 58.468(D) CB :: 63.834(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.376(D) HA :: 4.401 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.277(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.1 Y 0.07 R 0.01 HN Overlap>> 1.D38 1.I14 1.D38 1.I14 C Shift Assignments>> C :: 175.882(D) CA :: 54.351(D) CB :: 41.165(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 :: 8.305(D) HA :: 4.576 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.341(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.31 I 0.16 E 0.04 D 0.03 L 0.02 N 0.02 M 0.01 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 176.090(D) CA :: 58.014(D) CB :: 38.599(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 :: 8.139(D) HA :: 4.584 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 :: 120.742(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.N86 1.N86 C Shift Assignments>> C :: 174.391(D) CA :: 61.884(D) CB :: 70.053(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 :: 8.195(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 :: 116.751(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.16 W 0.16 H 0.16 R 0.15 Q 0.14 K 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 176.650(D) CA :: 57.198(D) CB :: 29.929(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 :: 8.471(D) HA :: 4.178 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 :: 123.380(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.14 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 178.366(D) CA :: 53.224(D) CB :: 19.193(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.343(D) HA :: 4.196 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.160(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.16 W 0.16 H 0.16 R 0.15 Q 0.14 K 0.1 M 0.06 I 0.01 HN Overlap>> 1.H47 1.H47 C Shift Assignments>> C :: 176.804(D) CA :: 57.148(D) CB :: 30.016(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 :: 8.308(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 :: 119.592(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 F 0.33 I 0.18 D 0.03 L 0.03 E 0.01 N 0.01 C Shift Assignments>> C :: 175.992(D) CA :: 58.440(D) CB :: 39.055(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 :: 8.249(D) HA :: 4.507 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 :: 121.382(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.4 W 0.02 K 0.01 C Shift Assignments>> C :: 176.200(D) CA :: 62.967(D) CB :: 32.659(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 :: 8.062(D) HA :: 3.896 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.114(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.14 E 0.14 W 0.14 R 0.13 M 0.05 I 0.01 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 176.068(D) CA :: 56.251(D) CB :: 29.496 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 :: 8.337(D) HA :: 4.154 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.761(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 177.950(D) CA :: 52.708(D) CB :: 19.264 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.366(D) HA :: 4.214 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.474(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.15 HN Overlap>> 1.W82 1.K80 1.E78 1.W82 1.K80 1.E78 C Shift Assignments>> C :: 178.229(D) CA :: 52.767(D) CB :: 18.807(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.267(D) HA :: 4.194 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.199(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.22 Q 0.17 R 0.1 H 0.09 W 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 177.036(D) CA :: 56.641(D) CB :: 32.950(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 :: 8.239(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 :: 120.463(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>> H 0.16 E 0.16 W 0.15 Q 0.15 R 0.15 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 176.770(D) CA :: 56.685(D) CB :: 29.939(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 :: 8.385(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 :: 122.019(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 Y 0.22 F 0.19 E 0.01 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 176.519(D) CA :: 61.447(D) CB :: 38.542(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 :: 8.169(D) HA :: 4.073 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 :: 121.944(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 E 0.16 W 0.16 R 0.15 Q 0.15 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 176.606(D) CA :: 56.789(D) CB :: 29.960(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 :: 8.453(D) HA :: 4.236 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 :: 124.928(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.23 Q 0.23 R 0.08 H 0.08 W 0.05 E 0.03 V 0.02 HN Overlap>> 1.I14 1.I14 C Shift Assignments>> C :: 176.682(D) CA :: 56.501 CB :: 33.332 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 :: 8.356(D) HA :: 4.245 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 :: 122.536(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 E 0.16 W 0.16 Q 0.14 K 0.09 M 0.07 I 0.01 HN Overlap>> 1.R68 1.R68 C Shift Assignments>> C :: 176.274(D) CA :: 56.740(D) CB :: 30.177(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 :: 8.465(D) HA :: 4.227 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.703(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.57 D 0.19 Y 0.07 F 0.07 L 0.05 C Shift Assignments>> C :: 175.114(D) CA :: 53.145(D) CB :: 38.809(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 :: 8.571(D) HA :: 4.709 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 :: 120.342(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.32 W 0.04 K 0.02 R 0.01 H 0.01 M 0.01 E 0.01 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> C :: 175.814(D) CA :: 62.224(D) CB :: 32.657(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 :: 8.171(D) HA :: 4.083 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 :: 121.141(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.449(D) CA :: 52.331(D) CB :: 19.286 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.451(D) HA :: 4.303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.055(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.1 HN Overlap>> 1.I79 1.I79 1.A20 1.A20 C Shift Assignments>> C :: 178.028(D) CA :: 52.491 CB :: 19.188(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.419(D) HA :: 4.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.143(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.391(D) CA :: 61.473(D) CB :: 69.818(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 :: 8.211(D) HA :: 4.340 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 :: 113.061(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.23 N 0.11 F 0.1 K 0.1 Y 0.07 R 0.01 HN Overlap>> 1.K11 1.D42 1.D16 1.D66 1.K11 1.D42 1.D16 1.D66 C Shift Assignments>> C :: 175.884(D) CA :: 54.327(D) CB :: 41.067(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 :: 8.381(D) HA :: 4.596 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.307(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.23 N 0.12 F 0.1 K 0.09 Y 0.08 R 0.01 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 176.185(D) CA :: 54.327(D) CB :: 41.018(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 :: 8.353(D) HA :: 4.574 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.978(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.35 W 0.04 K 0.02 R 0.01 H 0.01 HN Overlap>> 1.Y17 1.Y17 C Shift Assignments>> C :: 176.235(D) CA :: 62.446(D) CB :: 32.631 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 :: 8.134(D) HA :: 4.045 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 :: 120.634(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 D 0.2 K 0.18 R 0.14 F 0.08 Y 0.05 N 0.02 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 177.008(D) CA :: 55.036(D) CB :: 42.296(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 :: 8.376(D) HA :: 4.312 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 :: 125.931(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.22 N 0.13 F 0.1 K 0.08 Y 0.08 HN Overlap>> 1.D66 1.D38 1.D66 1.D38 C Shift Assignments>> C :: 176.393(D) CA :: 54.266(D) CB :: 40.951(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 :: 8.391(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 :: 122.219(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.48 P 0.38 W 0.04 K 0.02 R 0.01 H 0.01 I 0.01 C Shift Assignments>> C :: 176.069(D) CA :: 62.441(D) CB :: 32.342(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 :: 8.087(D) HA :: 4.042 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 :: 120.896(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 177.980(D) CA :: 52.648(D) CB :: 18.837(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.404(D) HA :: 4.275 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.862(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.21 K 0.2 R 0.1 F 0.09 Y 0.06 N 0.02 HN Overlap>> 1.V34 1.V34 C Shift Assignments>> C :: 177.601(D) CA :: 55.244(D) CB :: 42.056(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 :: 8.145(D) HA :: 4.585 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 :: 121.119(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 E 0.16 W 0.16 R 0.15 Q 0.15 K 0.1 M 0.06 I 0.01 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 176.191(D) CA :: 56.775(D) CB :: 30.033(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 :: 8.306(D) HA :: 4.133 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 :: 120.863(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.16 R 0.15 W 0.14 E 0.13 K 0.11 M 0.07 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 174.491(D) CA :: 55.415 CB :: 29.854 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 :: 8.307(D) HA :: 4.113 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 :: 119.540(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.34 I 0.12 D 0.07 L 0.07 N 0.02 HN Overlap>> 1.K88 1.K88 C Shift Assignments>> C :: 175.343(D) CA :: 57.883(D) CB :: 39.600(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 :: 8.214(D) 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 :: 121.808(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 P 0.28 W 0.04 K 0.03 R 0.01 M 0.01 H 0.01 Q 0.01 E 0.01 C Shift Assignments>> C :: 175.297(D) CA :: 62.132(D) CB :: 32.816(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 :: 8.109(D) HA :: 3.967 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.363(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.22 Q 0.18 R 0.1 H 0.09 W 0.06 E 0.04 V 0.02 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 176.389(D) CA :: 56.308(D) CB :: 33.015(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 :: 8.384(D) HA :: 4.312 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.913(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 Y 0.24 F 0.21 E 0.01 HN Overlap>> 1.L10 1.Q24 1.L10 1.Q24 C Shift Assignments>> C :: 176.387 CA :: 61.066(D) CB :: 38.523(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 :: 8.415(D) HA :: 4.204 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.825(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.052(D) CA :: 61.744(D) CB :: 69.676(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 :: 8.301(D) HA :: 4.289 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.105(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.17 E 0.15 W 0.15 Q 0.14 M 0.09 K 0.07 C Shift Assignments>> C :: 175.675(D) CA :: 56.167 CB :: 30.386(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 :: 8.422(D) HA :: 4.191 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 :: 123.643(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 Q 0.17 R 0.15 W 0.13 K 0.12 E 0.1 M 0.08 C Shift Assignments>> C :: 173.977(D) CA :: 53.823 CB :: 29.674 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 :: 8.598(D) HA :: 4.913 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 :: 120.899(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.5 V 0.43 W 0.02 I 0.01 C Shift Assignments>> C :: 176.860(D) CA :: 63.495(D) CB :: 31.994 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.D56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.23 N 0.11 K 0.1 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.933(D) CA :: 54.352(D) CB :: 41.108(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 :: 8.806(D) HA :: 4.629 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.785(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G57 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 :: 174.681(D) CA :: 45.554(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457(D) HA2 :: 4.022 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.506(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.320(D) CA :: 62.138(D) CB :: 69.859(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 :: 8.167(D) HA :: 4.312 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 :: 113.425(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.22 N 0.12 F 0.11 K 0.09 Y 0.08 C Shift Assignments>> C :: 175.862(D) CA :: 54.390(D) CB :: 40.963(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 :: 8.499(D) HA :: 4.596 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.467(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.21 K 0.19 R 0.11 F 0.08 Y 0.05 N 0.02 C Shift Assignments>> C :: 176.725(D) CA :: 55.067(D) CB :: 42.156 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 :: 8.166(D) HA :: 4.258 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 :: 122.216(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 Y 0.27 F 0.24 E 0.01 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 175.131(D) CA :: 60.734(D) CB :: 38.792(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 :: 8.236(D) HA :: 4.009 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 :: 122.002(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.32 I 0.09 D 0.09 L 0.06 N 0.04 E 0.01 HN Overlap>> 1.Y63 1.Y63 C Shift Assignments>> C :: 174.410(D) CA :: 57.303(D) CB :: 39.130(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 :: 8.201(D) HA :: 4.513 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 :: 124.775(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Y63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 Y 0.21 D 0.2 F 0.2 L 0.09 I 0.02 E 0.01 HN Overlap>> 1.Y62 1.Y62 C Shift Assignments>> C :: 173.390(D) CA :: 55.330(D) CB :: 39.095 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 :: 8.225(D) HA :: 4.711 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 :: 124.689(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.47 V 0.44 W 0.03 I 0.01 C Shift Assignments>> C :: 176.902(D) CA :: 63.033(D) CB :: 32.016(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.S65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.384(D) CA :: 58.282(D) CB :: 63.748(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.458(D) HA :: 4.416 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 :: 115.887(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.24 K 0.11 N 0.11 F 0.1 Y 0.07 R 0.01 HN Overlap>> 1.K11 1.D42 1.K11 1.D42 1.D38 1.D38 C Shift Assignments>> C :: 175.857(D) CA :: 54.281(D) CB :: 41.175(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 :: 8.444(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 :: 122.287(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 D 0.18 Y 0.08 F 0.08 L 0.04 M 0.01 C Shift Assignments>> C :: 175.285(D) CA :: 53.219(D) CB :: 38.681(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 :: 8.423(D) HA :: 4.682 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 :: 119.109(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 W 0.14 E 0.14 Q 0.11 M 0.11 K 0.09 V 0.01 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 176.195(D) CA :: 56.400(D) CB :: 30.864 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 :: 8.399(D) HA :: 4.274 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.668(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.D69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.22 N 0.12 F 0.1 K 0.09 Y 0.08 C Shift Assignments>> C :: 175.826(D) CA :: 54.365(D) CB :: 40.973(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 :: 8.467(D) HA :: 4.593 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 :: 121.308(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.26 K 0.13 N 0.09 F 0.08 Y 0.05 R 0.03 HN Overlap>> 1.E46 1.D39 1.E46 1.D39 C Shift Assignments>> C :: 176.045(D) CA :: 53.972(D) CB :: 41.523(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 :: 8.282(D) HA :: 4.632 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.892(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.008(D) CA :: 56.622(D) CB :: 63.118 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.289(D) HA :: 4.700 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 :: 117.139(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.51 V 0.42 W 0.02 I 0.01 C Shift Assignments>> CA :: 63.597(D) CB :: 31.864(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.E73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.16 W 0.16 H 0.16 Q 0.15 R 0.15 K 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 177.250(D) CA :: 57.077(D) CB :: 29.888(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 :: 8.589(D) HA :: 4.200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.919(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.192(D) CA :: 45.399(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.372(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.922(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 Y 0.23 F 0.2 E 0.01 C Shift Assignments>> C :: 176.445(D) CA :: 61.239(D) CB :: 38.572(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 :: 7.983(D) HA :: 4.126 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 :: 120.692(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.49 P 0.42 W 0.03 K 0.01 C Shift Assignments>> C :: 176.334(D) CA :: 62.919(D) CB :: 32.434(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 :: 8.254(D) HA :: 4.000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.961(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.23 Q 0.2 R 0.09 H 0.08 W 0.06 E 0.04 V 0.02 HN Overlap>> 1.A25 1.A25 C Shift Assignments>> C :: 176.651(D) CA :: 56.691(D) CB :: 33.177 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 :: 8.405(D) HA :: 4.252 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.555(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.17 E 0.15 W 0.15 Q 0.14 M 0.09 K 0.07 HN Overlap>> 1.W82 1.K80 1.W82 1.K80 1.A26 1.A26 C Shift Assignments>> C :: 176.171 CA :: 56.321 CB :: 30.423 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 :: 8.345(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 :: 123.269(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 Y 0.25 F 0.21 E 0.01 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 175.998(D) CA :: 60.955 CB :: 38.497 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 :: 8.495 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.073 Ave N Shift Values>> N :: 121.46(4.28) 1.K80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.2 V 0.2 Q 0.15 P 0.06 R 0.04 H 0.03 W 0.02 E 0.01 HN Overlap>> 1.W82 1.W82 1.E78 1.A26 1.E78 1.A26 C Shift Assignments>> C :: 176.542(D) CB :: 33.176 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 :: 8.347(D) HA :: 4.054 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 :: 123.263(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 E 0.16 W 0.16 R 0.16 Q 0.15 K 0.1 M 0.06 I 0.01 C Shift Assignments>> C :: 176.494(D) CA :: 56.819 CB :: 30.057 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 :: 8.469(D) HA :: 4.208 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.327(D) Ave N Shift Values>> N :: 120.67(3.48) 1.W82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.16 K 0.13 H 0.13 Q 0.13 R 0.12 I 0.05 M 0.03 V 0.01 HN Overlap>> 1.K80 1.E78 1.A26 1.K80 1.E78 1.A26 C Shift Assignments>> C :: 176.582(D) CA :: 58.418(D) CB :: 29.579 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.347(D) HA :: 4.512 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.256(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 W 0.14 E 0.13 M 0.13 Q 0.1 K 0.1 V 0.01 C Shift Assignments>> C :: 175.956(D) CA :: 56.265(D) CB :: 31.041(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 :: 8.110(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 :: 122.885(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.A84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 178.078(D) CA :: 52.816(D) CB :: 18.802(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.098(D) HA :: 4.053 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.197(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.15 C Shift Assignments>> C :: 177.499(D) CA :: 52.804(D) CB :: 18.853(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.213(D) HA :: 4.196 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.626(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.17 Y 0.08 F 0.07 L 0.04 M 0.01 HN Overlap>> 1.T18 1.T18 C Shift Assignments>> C :: 175.624(D) CA :: 53.193(D) CB :: 38.610(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 :: 8.194(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 :: 116.739(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 C Shift Assignments>> C :: 173.674(D) CA :: 45.181(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.218(D) HA2 :: 3.881 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.621(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.18 H 0.13 R 0.13 Q 0.13 W 0.07 E 0.04 HN Overlap>> 1.F48 1.F48 C Shift Assignments>> C :: 174.459 CA :: 54.051(D) CB :: 32.597 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 :: 8.116(D) HA :: 4.578 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 :: 121.826(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.49 V 0.43 W 0.02 I 0.01 C Shift Assignments>> C :: 177.494(D) CA :: 63.372(D) CB :: 31.951(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.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.740(D) CA :: 44.984(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.570(D) HA2 :: 3.860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.640(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.1 D 0.08 L 0.08 N 0.02 K 0.01 C Shift Assignments>> C :: 175.428(D) CA :: 57.761(D) CB :: 39.774(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 :: 8.118(D) HA :: 4.561 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 :: 120.318(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 K 0.22 Q 0.2 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 175.721(D) CA :: 56.031(D) CB :: 33.106(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 :: 8.312(D) HA :: 4.211 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 :: 124.373(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.17 R 0.14 W 0.14 E 0.14 K 0.13 M 0.06 C Shift Assignments>> C :: 175.315(D) CA :: 55.762(D) CB :: 29.641(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 :: 8.467(D) HA :: 4.255 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.044(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 178.974(D) CA :: 46.051(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.180(D) HA2 :: 3.745 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.333(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 8 #Clerical: 86 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 30 #Duplicate: 221 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 71 #Duplicate: 80 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 2 #Duplicate: 80 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E9 C = 176.314(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7555e-01 1.E9 CA = 56.396(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.5841e-01 1.E9 CB = 30.117(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.5040e-01 1.L10 C = 177.416(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2965e-01 1.L10 CA = 55.123(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1550e-01 1.L10 CB = 42.006(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7154e-01 1.L10 H = 8.442(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4431e-01 1.L10 N = 123.833(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1293e-01 1.K11 C = 176.308(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.6816e-01 1.K11 CA = 56.409(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0575e-01 1.K11 CB = 32.832(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8118e-01 1.K11 H = 8.436(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8181e-01 1.K11 N = 122.340(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3222e-01 1.N12 C = 175.139(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.4166e-01 1.N12 CA = 53.232(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6987e-01 1.N12 CB = 38.820(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.3868e-01 1.N12 H = 8.536(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5572e-01 1.N12 N = 119.717(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.4517e-01 1.S13 C = 174.581(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8191e-01 1.S13 CA = 58.385(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7144e-01 1.S13 CB = 63.684(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.3753e-01 1.S13 H = 8.371(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7742e-01 1.S13 N = 116.289(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9796e-01 1.I14 C = 176.454(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.5308e-01 1.I14 CA = 61.415(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.4200e-01 1.I14 CB = 38.506(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.5105e-01 1.I14 H = 8.290(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8827e-01 1.I14 N = 122.450(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1708e-01 1.S15 C = 174.094(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.5975e-01 1.S15 CA = 58.468(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.0311e-01 1.S15 CB = 63.834(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.8167e-01 1.S15 H = 8.376(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7075e-01 1.S15 N = 119.277(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.9454e-01 1.D16 C = 175.882(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6723e-01 1.D16 CA = 54.351(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.6737e-01 1.D16 CB = 41.165(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6035e-01 1.D16 H = 8.305(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9312e-01 1.D16 N = 122.341(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6133e-01 1.Y17 C = 176.090(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.2879e-01 1.Y17 CA = 58.014(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.6314e-01 1.Y17 CB = 38.599(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.3853e-01 1.Y17 H = 8.139(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.0418e-01 1.Y17 N = 120.742(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.5785e-01 1.T18 C = 174.391(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.3253e-01 1.T18 CA = 61.884(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9678e-01 1.T18 CB = 70.053(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.4292e-01 1.T18 H = 8.195(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4214e-01 1.T18 N = 116.751(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.7932e-01 1.E19 C = 176.650(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.1017e-01 1.E19 CA = 57.198(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.5345e-01 1.E19 CB = 29.929(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6244e-01 1.E19 H = 8.471(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1112e-01 1.E19 N = 123.380(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3614e-01 1.A20 C = 178.366(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.6884e-01 1.A20 CA = 53.224(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.6616e-01 1.A20 CB = 19.193(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2034e-01 1.A20 H = 8.343(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1162e-01 1.A20 N = 124.160(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9277e-01 1.E21 C = 176.804(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.7300e-01 1.E21 CA = 57.148(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.3441e-01 1.E21 CB = 30.016(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.9722e-01 1.E21 H = 8.308(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7026e-01 1.E21 N = 119.592(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5674e-01 1.F22 C = 175.992(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.7378e-01 1.F22 CA = 58.440(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.8860e-01 1.F22 CB = 39.055(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.5461e-01 1.F22 H = 8.249(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.7748e-01 1.F22 N = 121.382(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.2356e-01 1.V23 C = 176.200(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.6017e-01 1.V23 CA = 62.967(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.6754e-01 1.V23 CB = 32.659(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6836e-01 1.V23 H = 8.062(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3363e-01 1.V23 N = 123.114(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6371e-01 1.Q24 C = 176.068(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.0123e-01 1.Q24 CA = 56.251(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.8150e-01 1.Q24 H = 8.337(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4281e-01 1.Q24 N = 123.761(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.8225e-01 1.A25 C = 177.950(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.2146e-01 1.A25 CA = 52.708(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2729e-01 1.A25 H = 8.366(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8204e-01 1.A25 N = 125.474(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.2615e-01 1.A26 C = 178.229(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.1842e-01 1.A26 CA = 52.767(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5058e-01 1.A26 CB = 18.807(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1167e-01 1.A26 H = 8.267(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1109e-01 1.A26 N = 123.199(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9301e-01 1.K27 C = 177.036(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.4305e-01 1.K27 CA = 56.641(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8830e-01 1.K27 CB = 32.950(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2838e-01 1.K27 H = 8.239(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3491e-01 1.K27 N = 120.463(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7627e-01 1.E28 C = 176.770(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5910e-01 1.E28 CA = 56.685(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6126e-01 1.E28 CB = 29.939(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6707e-01 1.E28 H = 8.385(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2573e-01 1.E28 N = 122.019(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9828e-01 1.I29 C = 176.519(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.2751e-01 1.I29 CA = 61.447(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.5150e-01 1.I29 CB = 38.542(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6525e-01 1.I29 H = 8.169(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7033e-01 1.I29 N = 121.944(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.0996e-01 1.E30 C = 176.606(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9231e-01 1.E30 CA = 56.789(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.9944e-01 1.E30 CB = 29.960(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7681e-01 1.E30 H = 8.453(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3486e-01 1.E30 N = 124.928(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2112e-01 1.K31 C = 176.682(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.8325e-01 1.K31 H = 8.356(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8204e-01 1.K31 N = 122.536(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9346e-01 1.E32 C = 176.274(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.5988e-01 1.E32 CA = 56.740(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8139e-01 1.E32 CB = 30.177(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2265e-01 1.E32 H = 8.465(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1901e-01 1.E32 N = 121.703(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6659e-01 1.N33 C = 175.114(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.3055e-01 1.N33 CA = 53.145(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3358e-01 1.N33 CB = 38.809(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4386e-01 1.N33 H = 8.571(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.1387e-01 1.N33 N = 120.342(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2606e-01 1.V34 C = 175.814(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.1867e-01 1.V34 CA = 62.224(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2590e-01 1.V34 CB = 32.657(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6747e-01 1.V34 H = 8.171(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5903e-01 1.V34 N = 121.141(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9982e-01 1.A35 C = 177.449(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.9133e-01 1.A35 CA = 52.331(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.8284e-01 1.A35 H = 8.451(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7570e-01 1.A35 N = 128.055(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.7288e-01 1.A36 C = 178.028(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.9245e-01 1.A36 CB = 19.188(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2251e-01 1.A36 H = 8.419(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1511e-01 1.A36 N = 124.143(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.9648e-01 1.T37 C = 174.391(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.3253e-01 1.T37 CA = 61.473(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.7303e-01 1.T37 CB = 69.818(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5695e-01 1.T37 H = 8.211(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6269e-01 1.T37 N = 113.061(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1945e-01 1.D38 C = 175.884(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6810e-01 1.D38 CA = 54.327(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5808e-01 1.D38 CB = 41.067(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.0810e-01 1.D38 H = 8.381(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0257e-01 1.D38 N = 122.307(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6772e-01 1.D39 C = 176.185(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.0222e-01 1.D39 CA = 54.327(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5808e-01 1.D39 CB = 41.018(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3211e-01 1.D39 H = 8.353(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4090e-01 1.D39 N = 120.978(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.3228e-01 1.V40 C = 176.235(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4618e-01 1.V40 CA = 62.446(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8773e-01 1.V40 H = 8.134(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1589e-01 1.V40 N = 120.634(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1126e-01 1.L41 C = 177.008(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9275e-01 1.L41 CA = 55.036(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8395e-01 1.L41 CB = 42.296(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.9406e-01 1.L41 H = 8.376(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2228e-01 1.L41 N = 125.931(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9656e-01 1.D42 C = 176.393(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.9681e-01 1.D42 CA = 54.266(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3455e-01 1.D42 CB = 40.951(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.6504e-01 1.D42 H = 8.391(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8893e-01 1.D42 N = 122.219(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8439e-01 1.V43 C = 176.069(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.1319e-01 1.V43 CA = 62.441(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8633e-01 1.V43 CB = 32.342(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.2840e-01 1.V43 H = 8.087(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6190e-01 1.V43 N = 120.896(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5714e-01 1.A44 C = 177.980(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1029e-01 1.A44 CA = 52.648(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0376e-01 1.A44 CB = 18.837(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2468e-01 1.A44 H = 8.404(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3386e-01 1.A44 N = 126.862(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0490e-01 1.L45 C = 177.601(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.5764e-01 1.L45 CA = 55.244(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.5988e-01 1.L45 CB = 42.056(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9253e-01 1.L45 H = 8.145(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9596e-01 1.L45 N = 121.119(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4931e-01 1.E46 C = 176.191(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.2769e-01 1.E46 CA = 56.775(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.9427e-01 1.E46 CB = 30.033(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.8933e-01 1.E46 H = 8.306(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6755e-01 1.E46 N = 120.863(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.5577e-01 1.H47 C = 174.491(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.0003e-01 1.H47 H = 8.307(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.2151e-01 1.H47 N = 119.540(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.7009e-01 1.F48 C = 175.343(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.6913e-01 1.F48 CA = 57.883(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.3890e-01 1.F48 CB = 39.600(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.5197e-01 1.F48 H = 8.214(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.3931e-01 1.F48 N = 121.808(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.4527e-01 1.V49 C = 175.297(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.6501e-01 1.V49 CA = 62.132(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.0039e-01 1.V49 CB = 32.816(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6168e-01 1.V49 H = 8.109(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.8705e-01 1.V49 N = 123.363(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2438e-01 1.K50 C = 176.389(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.0013e-01 1.K50 CA = 56.308(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7043e-01 1.K50 CB = 33.015(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9941e-01 1.K50 H = 8.384(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4644e-01 1.K50 N = 125.913(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.9708e-01 1.I51 CA = 61.066(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3915e-01 1.I51 CB = 38.523(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.5776e-01 1.I51 H = 8.415(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4263e-01 1.I51 N = 123.825(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.8056e-01 1.T52 C = 174.052(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.8157e-01 1.T52 CA = 61.744(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5418e-01 1.T52 CB = 69.676(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.7357e-01 1.T52 H = 8.301(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2163e-01 1.T52 N = 119.105(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3787e-01 1.E53 C = 175.675(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.4000e-01 1.E53 CB = 30.386(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2696e-01 1.E53 H = 8.422(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7609e-01 1.E53 N = 123.643(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9293e-01 1.H54 C = 173.977(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.1815e-01 1.H54 H = 8.598(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.9856e-01 1.H54 N = 120.899(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.6246e-01 1.P55 C = 176.860(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.4193e-01 1.P55 CA = 63.495(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.1356e-01 1.D56 C = 176.933(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6069e-01 1.D56 CA = 54.352(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.6776e-01 1.D56 CB = 41.108(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.8807e-01 1.D56 H = 8.806(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.9246e-01 1.D56 N = 120.785(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7210e-01 1.G57 C = 174.681(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6619e-01 1.G57 CA = 45.554(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7900e-01 1.G57 H = 8.457(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4509e-01 1.G57 N = 109.506(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6620e-01 1.T58 C = 174.320(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.0052e-01 1.T58 CA = 62.138(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7474e-01 1.T58 CB = 69.859(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3692e-01 1.T58 H = 8.167(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0627e-01 1.T58 N = 113.425(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7449e-01 1.D59 C = 175.862(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5852e-01 1.D59 CA = 54.390(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8251e-01 1.D59 CB = 40.963(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.5914e-01 1.D59 H = 8.499(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4453e-01 1.D59 N = 122.467(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3784e-01 1.L60 C = 176.725(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9353e-01 1.L60 CA = 55.067(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9515e-01 1.L60 H = 8.166(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2157e-01 1.L60 N = 122.216(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2727e-01 1.I61 C = 175.131(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.0805e-01 1.I61 CA = 60.734(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.4377e-01 1.I61 CB = 38.792(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.3608e-01 1.I61 H = 8.236(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4841e-01 1.I61 N = 122.002(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9923e-01 1.Y62 C = 174.410(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.1885e-01 1.Y62 CA = 57.303(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.4179e-01 1.Y62 CB = 39.130(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.2991e-01 1.Y62 H = 8.201(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.7051e-01 1.Y62 N = 124.775(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.1101e-01 1.Y63 C = 173.390(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.1247e-01 1.Y63 CA = 55.330(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.6462e-01 1.Y63 H = 8.225(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.9646e-01 1.Y63 N = 124.689(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.2090e-01 1.P64 C = 176.902(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.1982e-01 1.P64 CA = 63.033(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4508e-01 1.P64 CB = 32.016(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.8812e-01 1.S65 C = 174.384(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.9087e-01 1.S65 CA = 58.282(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.3242e-01 1.S65 CB = 63.748(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7197e-01 1.S65 H = 8.458(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6288e-01 1.S65 N = 115.887(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1110e-01 1.D66 C = 175.857(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5634e-01 1.D66 CA = 54.281(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4033e-01 1.D66 CB = 41.175(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5551e-01 1.D66 H = 8.444(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.1729e-01 1.D66 N = 122.287(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.7150e-01 1.N67 C = 175.285(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.9331e-01 1.N67 CA = 53.219(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6442e-01 1.N67 CB = 38.681(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9575e-01 1.N67 H = 8.423(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9519e-01 1.N67 N = 119.109(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.6457e-01 1.R68 C = 176.195(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1565e-01 1.R68 CA = 56.400(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.7274e-01 1.R68 H = 8.399(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.9436e-01 1.R68 N = 121.668(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1353e-01 1.D69 C = 175.826(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.4291e-01 1.D69 CA = 54.365(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.7280e-01 1.D69 CB = 40.973(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.5422e-01 1.D69 H = 8.467(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8663e-01 1.D69 N = 121.308(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6464e-01 1.D70 C = 176.045(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.3925e-01 1.D70 CA = 53.972(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.2357e-01 1.D70 CB = 41.523(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.9143e-01 1.D70 H = 8.282(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6150e-01 1.D70 N = 120.892(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.5001e-01 1.S71 C = 173.008(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.4865e-01 1.S71 CA = 56.622(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1081e-01 1.S71 H = 8.289(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8783e-01 1.S71 N = 117.139(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0720e-01 1.P72 CA = 63.597(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.6056e-01 1.P72 CB = 31.864(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.9053e-01 1.E73 C = 177.250(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4549e-01 1.E73 CA = 57.077(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.0744e-01 1.E73 CB = 29.888(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.4345e-01 1.E73 H = 8.589(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6067e-01 1.E73 N = 119.919(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2914e-01 1.G74 C = 174.192(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6401e-01 1.G74 CA = 45.399(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7083e-01 1.G74 H = 8.372(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4848e-01 1.G74 N = 109.922(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4808e-01 1.I75 C = 176.445(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.5664e-01 1.I75 CA = 61.239(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.8990e-01 1.I75 CB = 38.572(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7709e-01 1.I75 H = 7.983(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.6228e-01 1.I75 N = 120.692(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5759e-01 1.V76 C = 176.334(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.0707e-01 1.V76 CA = 62.919(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.8076e-01 1.V76 CB = 32.434(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.6866e-01 1.V76 H = 8.254(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5715e-01 1.V76 N = 124.961(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.0000e-01 1.K77 C = 176.651(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9561e-01 1.K77 CA = 56.691(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0628e-01 1.K77 H = 8.405(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2009e-01 1.K77 N = 125.555(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.3210e-01 1.E78 H = 8.345(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7972e-01 1.E78 N = 123.269(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5516e-01 1.I79 C = 175.998(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.3856e-01 1.K80 C = 176.542(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.6092e-01 1.K80 H = 8.347(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9358e-01 1.K80 N = 123.263(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5720e-01 1.E81 C = 176.494(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4710e-01 1.E81 H = 8.469(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1375e-01 1.E81 N = 125.327(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8082e-01 1.W82 C = 176.582(D), Expected = 176.12, Std = 2.0100, ChiSquare = 8.1821e-01 1.W82 CA = 58.418(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.6891e-01 1.W82 H = 8.347(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.4248e-01 1.W82 N = 123.256(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.0615e-01 1.R83 C = 175.956(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.2303e-01 1.R83 CA = 56.265(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2695e-01 1.R83 CB = 31.041(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.5218e-01 1.R83 H = 8.110(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3124e-01 1.R83 N = 122.885(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.7100e-01 1.A84 C = 178.078(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.7392e-01 1.A84 CA = 52.816(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7002e-01 1.A84 CB = 18.802(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0951e-01 1.A84 H = 8.098(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6501e-01 1.A84 N = 124.197(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8473e-01 1.A85 C = 177.499(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0992e-01 1.A85 CA = 52.804(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6525e-01 1.A85 CB = 18.853(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3163e-01 1.A85 H = 8.213(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8271e-01 1.A85 N = 122.626(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6452e-01 1.N86 C = 175.624(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.4323e-01 1.N86 CA = 53.193(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.5356e-01 1.N86 CB = 38.610(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.6224e-01 1.N86 H = 8.194(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.1674e-01 1.N86 N = 116.739(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.8667e-01 1.G87 C = 173.674(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1697e-01 1.G87 CA = 45.181(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9964e-01 1.G87 H = 8.218(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6320e-01 1.G87 N = 108.621(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8635e-01 1.K88 CA = 54.051(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8759e-01 1.K88 H = 8.116(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0184e-01 1.K88 N = 121.826(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3692e-01 1.P89 C = 177.494(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.2221e-01 1.P89 CA = 63.372(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.7796e-01 1.P89 CB = 31.951(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.3179e-01 1.G90 C = 173.740(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4487e-01 1.G90 CA = 44.984(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8475e-01 1.G90 H = 8.570(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1196e-01 1.G90 N = 109.640(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9381e-01 1.F91 C = 175.428(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.9679e-01 1.F91 CA = 57.761(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.0122e-01 1.F91 CB = 39.774(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.1769e-01 1.F91 H = 8.118(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.3679e-01 1.F91 N = 120.318(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7481e-01 1.K92 C = 175.721(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.4587e-01 1.K92 CA = 56.031(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.7615e-01 1.K92 CB = 33.106(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.5909e-01 1.K92 H = 8.312(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3887e-01 1.K92 N = 124.373(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.7808e-01 1.Q93 C = 175.315(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.0987e-01 1.Q93 CA = 55.762(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0575e-01 1.Q93 CB = 29.641(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.0429e-01 1.Q93 H = 8.467(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.7548e-01 1.Q93 N = 123.044(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8097e-01 1.G94 C = 178.974(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6297e-03 1.G94 CA = 46.051(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.0088e-01 1.G94 H = 8.180(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1749e-01 1.G94 N = 117.333(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7692e-02