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.N2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.397317461 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.6713713 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.8906412 CA :: 64.45772029(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.Y4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.2 V 0.19 C 0.08 P 0.06 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 C Shift Assignments>> C :: 178.5352453 CA :: 61.58676591(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 :: 8.189400115(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.6500433(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 178.4115739 CA :: 64.50069163(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 :: 7.805391271(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.4618202(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 C 0.09 S 0.05 F 0.05 Y 0.05 W 0.04 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 178.3316765 CA :: 61.20714032(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.009416976(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.0546643(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.11 F 0.09 E 0.09 Y 0.09 C 0.09 K 0.08 R 0.07 H 0.06 S 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 179.0460157(D) CA :: 57.67749092(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 :: 7.764179184(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.897131(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.8578236(D) CA :: 47.38390921(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.672670049(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.382173(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 C 0.1 P 0.08 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 174.5539662 CA :: 47.73430132(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.772855121(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4653139(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.07 K 0.06 W 0.05 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.48797886 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.910771906(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.601998(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.526379138 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 :: 122.8623518 Ave N Shift Values>> N :: 121.46(4.28) 1.L12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.330694824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.2030892 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y40 1.Y40 H Shift Assignments>> H :: 8.487681177 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.1043341 Ave N Shift Values>> N :: 123.23(3.54) 1.Q14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 V 0.22 P 0.17 T 0.17 I 0.12 C 0.02 C Shift Assignments>> C :: 177.9363256(D) CA :: 64.8352931 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 :: 8.613000664 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 :: 122.2991359 Ave N Shift Values>> N :: 121.46(4.28) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.24793162(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.473319681(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.449879(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.1 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.01 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 178.7017412(D) CA :: 57.95227883(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 :: 8.309837185 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8317302 Ave N Shift Values>> N :: 121.86(3.9) 1.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.04 T 0.04 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 181.7428919(D) CA :: 59.39636153(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 :: 8.205688521(D) 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 :: 121.6084244(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.09 W 0.08 T 0.06 V 0.06 E 0.04 K 0.04 R 0.03 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 178.4812871(D) CA :: 59.76426167(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 :: 7.648847775(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 :: 124.8944797(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.11 I 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.2932649(D) CA :: 59.97434176(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 :: 7.466399221(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 :: 118.792809(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.18 T 0.13 V 0.13 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.05 E 0.02 R 0.02 K 0.02 P 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 173.7844884(D) CA :: 60.69257438(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.976631911(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.8196883(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 L 0.09 Q 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 178.069397(D) CA :: 56.08768524(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 :: 7.706263434(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 :: 121.1634574(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.9380057(D) CA :: 46.31452745(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.383047514(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.0544727(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.09 W 0.08 T 0.06 V 0.06 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 174.3251727(D) CA :: 59.78326676(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 :: 7.939054873(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 :: 113.5838814(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 V 0.22 I 0.2 P 0.1 S 0.06 C 0.06 F 0.02 Y 0.02 W 0.02 C Shift Assignments>> C :: 175.267347(D) CA :: 62.14419896(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 :: 7.533788615(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 :: 102.3647073(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.13 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 178.2979295(D) CA :: 54.28829136(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 :: 7.396522193(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 :: 119.7752708(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.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.13 C 0.12 S 0.1 T 0.09 Y 0.09 V 0.09 F 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.5909388(D) CA :: 60.16782314(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 :: 9.077958837(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.2203328(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.22 I 0.22 V 0.21 P 0.08 C 0.06 S 0.05 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> CA :: 61.92215203(D) 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 :: 9.330593164(D) 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 :: 119.1912618(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 S 0.22 T 0.19 I 0.13 P 0.13 C 0.02 C Shift Assignments>> C :: 179.57835(D) CA :: 65.5997578(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.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.28 V 0.26 T 0.21 I 0.16 C 0.03 C Shift Assignments>> C :: 175.1161518(D) CA :: 64.03107359(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.410068959(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.908552(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 T 0.22 I 0.15 S 0.12 P 0.06 C 0.03 C Shift Assignments>> C :: 178.6508137(D) CA :: 66.8107737(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 :: 8.389270677(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.1155162(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.53 P 0.18 C 0.1 A 0.09 N 0.03 L 0.02 C Shift Assignments>> C :: 174.8223787(D) CA :: 47.96522036(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.805472643(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.0266758(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 T 0.23 I 0.15 C 0.03 S 0.01 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 175.5825885(D) CA :: 68.70927096(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 :: 8.232764198(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 :: 121.12078(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.26 S 0.23 T 0.18 P 0.14 I 0.13 C 0.02 C Shift Assignments>> C :: 178.373717 CA :: 65.47458709(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 :: 7.476604557(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.372649(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 S 0.21 T 0.19 I 0.13 P 0.12 C 0.02 C Shift Assignments>> C :: 177.9124045 CA :: 65.69707658 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 :: 8.29303494 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7403043 Ave N Shift Values>> N :: 121.46(4.28) 1.C39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.26 S 0.23 T 0.18 P 0.14 I 0.13 C 0.02 C Shift Assignments>> C :: 177.6950616(D) CA :: 65.48555077(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.19524595(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.443031(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 I 0.11 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 HN Overlap>> 1.A13 1.A13 C Shift Assignments>> C :: 178.6881402(D) CA :: 60.01166118(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 :: 8.522410978(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1004691(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 S 0.24 T 0.18 P 0.15 I 0.13 C 0.02 C Shift Assignments>> C :: 176.7302931(D) CA :: 65.2163635(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.480033463(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.8688769(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 D 0.11 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 C 0.05 N 0.05 W 0.05 E 0.04 A 0.04 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 178.7295254(D) CA :: 55.26065497(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.332671717(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6448325(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.26 T 0.23 I 0.19 P 0.16 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> C :: 177.210828 CA :: 62.57093665(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.541740639(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.3502442(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 T 0.15 V 0.15 C 0.1 S 0.07 F 0.06 Y 0.06 W 0.05 P 0.03 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> CA :: 60.95833177 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 :: 8.304610069 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 :: 115.9525669 Ave N Shift Values>> N :: 120.45(4.18) 1.W45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 179.4726373 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) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 W 0.1 K 0.08 F 0.08 C 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 180.0573182 CA :: 57.45831512 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 :: 8.605457605 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9777733 Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.13 L 0.12 M 0.09 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 A 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 180.2717037(D) CA :: 55.01762487 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.744212527 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4118483 Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 Q 0.09 H 0.09 E 0.08 W 0.07 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.03 D 0.03 C Shift Assignments>> C :: 177.2971368 CA :: 56.85246321(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.396175664(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 :: 114.5737467(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.2282076 CA :: 64.4886742 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.471568582 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.3406336 Ave N Shift Values>> N :: 115.42(4.75) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.09 L 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 177.3613778(D) CA :: 56.06107841(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 :: 7.265035112(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.8919762(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 N 0.23 D 0.12 L 0.06 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 177.7989306(D) CA :: 53.10147784(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.082161543(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.9638259(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> CA :: 58.37152223(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.683160405(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 113.7222316(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.21 P 0.2 T 0.19 I 0.15 S 0.14 C 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.8526986 CA :: 62.96760074 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.T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 T 0.2 S 0.18 I 0.14 P 0.1 C 0.02 C Shift Assignments>> C :: 176.0354071(D) CA :: 66.13966501 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 :: 8.214737223(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.2322708(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 C 0.09 P 0.04 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 176.2926068(D) CA :: 47.5884577(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.735195435(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5243186(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.2808378 CA :: 64.61112573(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 :: 6.85537337(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.4461674(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 D 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 179.7834318(D) CA :: 55.65495812 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.926107404(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2065199(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 C 0.09 S 0.05 F 0.05 Y 0.05 W 0.04 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.21948914(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 :: 8.751660295(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.9178073(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.32 T 0.23 P 0.2 I 0.17 C 0.03 C Shift Assignments>> C :: 177.9554596 CA :: 65.21908476 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 P 0.26 A 0.11 C 0.1 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 174.8362975(D) CA :: 48.10172499(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.272912485(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4330902(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 T 0.21 S 0.17 I 0.14 P 0.1 C 0.02 C Shift Assignments>> C :: 178.429972(D) CA :: 66.19403461(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 :: 8.908005763(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.9652683(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 175.0035603 CA :: 47.56505831(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.235392474(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.7051694(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 T 0.2 S 0.19 I 0.14 P 0.11 C 0.02 C Shift Assignments>> C :: 179.1815639(D) CA :: 65.92879529 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 :: 8.278507718 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 :: 120.08494 Ave N Shift Values>> N :: 121.46(4.28) 1.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 T 0.27 I 0.14 S 0.1 P 0.05 C 0.02 C Shift Assignments>> C :: 177.325646 CA :: 66.94931286(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 :: 7.408732602(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.5281873(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 F 0.11 C 0.11 W 0.1 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 179.1445661 CA :: 58.12484312 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 :: 8.209843703 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.4889021 Ave N Shift Values>> N :: 121.86(3.9) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.28 P 0.2 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 178.954574 CA :: 64.21322768 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 :: 8.820107225 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 :: 119.148481 Ave N Shift Values>> N :: 121.46(4.28) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.25 V 0.24 T 0.21 I 0.17 C 0.04 F 0.01 Y 0.01 W 0.01 S 0.01 C Shift Assignments>> C :: 176.6357071 CA :: 63.07738852 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.940114351 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 :: 119.458404 Ave N Shift Values>> N :: 116.28(3.52) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 F 0.11 C 0.11 W 0.1 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.T36 1.T36 C Shift Assignments>> C :: 179.5204521 CA :: 58.11874779 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 :: 8.152755142 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 :: 121.089085 Ave N Shift Values>> N :: 121.86(3.9) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 179.5134525 CA :: 58.2709389 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 :: 8.671985198 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.9663216 Ave N Shift Values>> N :: 121.86(3.9) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.23 P 0.2 I 0.18 C 0.04 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 176.8226664(D) CA :: 62.82713612(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.191360192(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.1847196(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.8826051(D) CA :: 59.2927417(D) 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 :: 7.709380298(D) 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 :: 124.7258301(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 173.9328099(D) CA :: 47.25804771(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.182172932(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.8536362(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 I 0.04 Q 0.04 M 0.03 V 0.02 T 0.02 L 0.01 C Shift Assignments>> C :: 179.7555248(D) CA :: 58.82431943(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 :: 8.461413019(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 :: 114.5968406(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 176.8136405(D) CA :: 55.52757825(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 :: 6.821356022(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 :: 112.1866998(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.183668(D) CA :: 46.53789845(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.435437804(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.853879(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 174.3493489(D) CA :: 55.3803401(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.676915276(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.4304605(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 175.4706587(D) CA :: 55.5581987(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 :: 7.756771334(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 :: 125.7300415(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.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 N 0.23 D 0.12 L 0.06 M 0.05 H 0.03 C 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.231186(D) CA :: 53.006234(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 :: 6.506269165(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.768995(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 P 0.28 N 0.18 D 0.07 L 0.03 C 0.02 M 0.02 H 0.01 R 0.01 W 0.01 Q 0.01 C Shift Assignments>> C :: 175.5682926(D) CA :: 51.26244309(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 :: 7.484789101(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.0624233(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.08 V 0.05 T 0.05 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.5179417(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 :: 8.723542605(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.4731111(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.34 T 0.21 S 0.16 I 0.14 P 0.08 C 0.03 C Shift Assignments>> C :: 177.9730975(D) CA :: 66.38553702(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.A87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 179.3617721(D) CA :: 55.5235023(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.52782949(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.375709(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 S 0.22 T 0.19 P 0.13 I 0.13 C 0.02 C Shift Assignments>> C :: 178.4243733(D) CA :: 65.56613197(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 :: 8.300766676(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.369043(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 178.5625132(D) CA :: 64.56819298(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 :: 8.716493459(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.2204926(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 C 0.1 P 0.08 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 175.8191573(D) CA :: 47.74160121(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.827936408(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3030774(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.08 V 0.05 T 0.05 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 178.6202898 CA :: 59.57666308(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 :: 8.663137861(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.7250895(D) Ave N Shift Values>> N :: 120.09(3.57) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 V 0.04 T 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.34789733 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 :: 8.550196008 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.0244576 Ave N Shift Values>> N :: 120.09(3.57) 1.L93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.115567348 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.9255866 Ave N Shift Values>> N :: 120.17(4.64) 1.A96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.4324462 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) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 T 0.2 S 0.18 I 0.14 P 0.1 C 0.02 C Shift Assignments>> C :: 177.837548 CA :: 66.05952841 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 :: 8.393048763 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.9417017 Ave N Shift Values>> N :: 121.46(4.28) 1.I101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 S 0.2 T 0.2 I 0.14 P 0.11 C 0.02 C Shift Assignments>> C :: 177.0320266(D) CA :: 65.90134826 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 :: 7.782258223 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.4376634 Ave N Shift Values>> N :: 121.46(4.28) 1.N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.1 H 0.1 R 0.1 K 0.09 M 0.08 E 0.07 W 0.07 L 0.06 C 0.06 F 0.05 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> C :: 176.2154848(D) CA :: 56.57977509(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 :: 7.346041263(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 :: 114.2264529(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.03 N 0.01 C Shift Assignments>> C :: 177.9694261(D) CA :: 56.48513539(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 :: 8.343673804(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.0516906(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.09 A 0.07 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.9544039(D) CA :: 54.68101169(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 :: 7.711921281(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.3433835(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.1 Y 0.1 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.07 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.01 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 175.5510258(D) CA :: 57.94103206(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.111909743(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.7666026(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 176.6872507(D) CA :: 55.56023943(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 :: 9.236837581(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 :: 127.0554191(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.S107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.12 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 174.3648609(D) CA :: 58.60150008(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.370390822(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1701774(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.13 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.05 T 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.45104655(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 :: 7.825499479(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 :: 117.27887(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.23 V 0.2 S 0.17 T 0.17 I 0.13 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.9687682(D) CA :: 63.23495242(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.H110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 Q 0.09 H 0.09 E 0.08 M 0.07 W 0.07 C 0.06 F 0.06 Y 0.06 L 0.06 S 0.03 D 0.03 C Shift Assignments>> CA :: 56.82502229(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.909139891(D) 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 :: 123.5481732(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 35 #Clerical: 75 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 22 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 45 #Duplicate: 123 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 21 #Duplicate: 66 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 21 #Duplicate: 66 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P3 CA = 64.45772029(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.5814e-01 1.Y4 CA = 61.58676591(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.6845e-01 1.Y4 H = 8.189400115(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.5801e-01 1.Y4 N = 116.6500433(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.5683e-01 1.I5 CA = 64.50069163(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8076e-01 1.I5 H = 7.805391271(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.8521e-01 1.I5 N = 120.4618202(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1559e-01 1.Y6 CA = 61.20714032(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.2022e-01 1.Y6 H = 7.009416976(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.2603e-02 1.Y6 N = 119.0546643(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.2717e-01 1.L7 C = 179.0460157(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9909e-01 1.L7 CA = 57.67749092(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3407e-01 1.L7 H = 7.764179184(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7359e-01 1.L7 N = 119.897131(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1475e-01 1.G8 C = 175.8578236(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.9035e-01 1.G8 CA = 47.38390921(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2905e-01 1.G8 H = 8.672670049(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9807e-01 1.G8 N = 106.382173(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9557e-01 1.G9 CA = 47.73430132(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5186e-02 1.G9 H = 8.772855121(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.9567e-01 1.G9 N = 109.4653139(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5782e-01 1.A10 H = 8.910771906(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3617e-01 1.A10 N = 124.601998(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9833e-01 1.I16 C = 177.9363256(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.7720e-01 1.G17 CA = 47.24793162(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5667e-01 1.G17 H = 8.473319681(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2549e-01 1.G17 N = 108.449879(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.5255e-01 1.L20 C = 178.7017412(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.8730e-01 1.L20 CA = 57.95227883(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7353e-01 1.M21 C = 181.7428919(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.7754e-03 1.M21 CA = 59.39636153(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.4056e-01 1.M21 H = 8.205688521(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2787e-01 1.M21 N = 121.6084244(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.7060e-01 1.K22 C = 178.4812871(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.5724e-01 1.K22 CA = 59.76426167(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0082e-01 1.K22 H = 7.648847775(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.6710e-01 1.K22 N = 124.8944797(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0784e-01 1.F23 C = 176.2932649(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.6079e-01 1.F23 CA = 59.97434176(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.6106e-01 1.F23 H = 7.466399221(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.1456e-01 1.F23 N = 118.792809(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9177e-01 1.S24 C = 173.7844884(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.2714e-01 1.S24 CA = 60.69257438(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4062e-01 1.S24 H = 7.976631911(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.0712e-01 1.S24 N = 113.8196883(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8458e-01 1.E25 C = 178.069397(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.3850e-01 1.E25 CA = 56.08768524(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5544e-01 1.E25 H = 7.706263434(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9043e-01 1.E25 N = 121.1634574(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8724e-01 1.G26 C = 174.9380057(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6998e-01 1.G26 CA = 46.31452745(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7165e-01 1.G26 H = 9.383047514(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0522e-01 1.G26 N = 112.0544727(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3780e-01 1.F27 C = 174.3251727(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.8221e-01 1.F27 CA = 59.78326676(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.0749e-01 1.F27 H = 7.939054873(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5879e-01 1.F27 N = 113.5838814(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0046e-01 1.T28 C = 175.267347(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.7941e-01 1.T28 CA = 62.14419896(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7665e-01 1.T28 H = 7.533788615(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.5468e-01 1.T28 N = 102.3647073(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9872e-03 1.R29 C = 178.2979295(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.5236e-01 1.R29 CA = 54.28829136(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.8267e-01 1.R29 H = 7.396522193(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.6674e-01 1.R29 N = 119.7752708(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.8066e-01 1.L30 C = 177.5909388(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.6151e-01 1.L30 CA = 60.16782314(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2751e-02 1.L30 H = 9.077958837(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9205e-01 1.L30 N = 131.2203328(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6391e-02 1.W31 CA = 61.92215203(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.8535e-02 1.W31 H = 9.330593164(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.8777e-01 1.W31 N = 119.1912618(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.5158e-01 1.P32 C = 179.57835(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.1058e-02 1.P32 CA = 65.5997578(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.3537e-01 1.S33 C = 175.1161518(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7299e-01 1.S33 CA = 64.03107359(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0296e-02 1.S33 H = 7.410068959(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4036e-01 1.S33 N = 115.908552(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1596e-01 1.V34 C = 178.6508137(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.1068e-01 1.V34 CA = 66.8107737(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3085e-01 1.V34 H = 8.389270677(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8221e-01 1.V34 N = 122.1155162(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2987e-01 1.G35 C = 174.8223787(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.1245e-01 1.G35 CA = 47.96522036(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0979e-02 1.G35 H = 8.805472643(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6448e-01 1.G35 N = 105.0266758(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3021e-01 1.T36 C = 175.5825885(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.5360e-01 1.T36 CA = 68.70927096(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2227e-02 1.T36 H = 8.232764198(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.9069e-01 1.T36 N = 121.12078(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3008e-01 1.I37 CA = 65.47458709(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4930e-01 1.I37 H = 7.476604557(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3742e-01 1.I37 N = 119.372649(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.2576e-01 1.C39 C = 177.6950616(D), Expected = 174.95, Std = 2.0700, ChiSquare = 1.8480e-01 1.C39 CA = 65.48555077(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.0942e-02 1.C39 H = 8.19524595(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.7130e-01 1.C39 N = 116.443031(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.2184e-01 1.Y40 C = 178.6881402(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.8467e-02 1.Y40 CA = 60.01166118(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.5346e-01 1.Y40 H = 8.522410978(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8157e-01 1.Y40 N = 119.1004691(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.3538e-01 1.C41 C = 176.7302931(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.8976e-01 1.C41 CA = 65.2163635(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.7803e-02 1.C41 H = 8.480033463(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9310e-01 1.C41 N = 117.8688769(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.1994e-01 1.A42 C = 178.7295254(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.4224e-01 1.A42 CA = 55.26065497(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8415e-01 1.A42 H = 8.332671717(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2500e-01 1.A42 N = 119.6448325(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.1118e-01 1.S43 CA = 62.57093665(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.2835e-02 1.S43 H = 8.541740639(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5731e-01 1.S43 N = 112.3502442(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.6425e-01 1.A48 C = 180.2717037(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.3460e-01 1.Q49 CA = 56.85246321(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9499e-01 1.Q49 H = 7.396175664(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6262e-01 1.Q49 N = 114.5737467(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.3975e-01 1.L51 C = 177.3613778(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5122e-01 1.L51 CA = 56.06107841(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.3595e-01 1.L51 H = 7.265035112(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3766e-01 1.L51 N = 119.8919762(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1382e-01 1.A52 C = 177.7989306(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7793e-01 1.A52 CA = 53.10147784(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.8448e-01 1.A52 H = 7.082161543(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2453e-02 1.A52 N = 118.9638259(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2815e-01 1.Y53 CA = 58.37152223(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.2334e-01 1.Y53 H = 7.683160405(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.8300e-01 1.Y53 N = 113.7222316(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.0555e-01 1.T56 C = 176.0354071(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.9551e-01 1.T56 H = 8.214737223(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6750e-01 1.T56 N = 118.2322708(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.5381e-01 1.G57 C = 176.2926068(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.9753e-01 1.G57 CA = 47.5884577(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4822e-02 1.G57 H = 8.735195435(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.3304e-01 1.G57 N = 107.5243186(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7928e-01 1.I58 CA = 64.61112573(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6279e-01 1.I58 H = 6.85537337(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6168e-02 1.I58 N = 119.4461674(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3798e-01 1.A59 C = 179.7834318(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.3738e-01 1.A59 H = 7.926107404(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4804e-01 1.A59 N = 121.2065199(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.6759e-01 1.Y60 CA = 61.21948914(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.1837e-01 1.Y60 H = 8.751660295(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.5431e-01 1.Y60 N = 114.9178073(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.8225e-01 1.G65 C = 174.8362975(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.0726e-01 1.G65 CA = 48.10172499(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.0022e-02 1.G65 H = 8.272912485(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3001e-01 1.G65 N = 108.4330902(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4926e-01 1.V66 C = 178.429972(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.3916e-01 1.V66 CA = 66.19403461(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9528e-01 1.V66 H = 8.908005763(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.5632e-01 1.V66 N = 119.9652683(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9583e-01 1.G67 CA = 47.56505831(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8325e-02 1.G67 H = 7.235392474(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2179e-02 1.G67 N = 106.7051694(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4361e-01 1.I68 C = 179.1815639(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.2707e-02 1.V69 CA = 66.94931286(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1895e-01 1.V69 H = 7.408732602(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8840e-01 1.V69 N = 119.5281873(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2257e-01 1.S75 C = 176.8226664(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.0033e-01 1.S75 CA = 62.82713612(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.7242e-02 1.S75 H = 8.191360192(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8058e-01 1.S75 N = 115.1847196(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5568e-01 1.W76 C = 177.8826051(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.8053e-01 1.W76 CA = 59.2927417(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.2683e-01 1.W76 H = 7.709380298(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.6236e-01 1.W76 N = 124.7258301(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.6621e-01 1.G77 C = 173.9328099(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7335e-01 1.G77 CA = 47.25804771(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5447e-01 1.G77 H = 8.182172932(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2009e-01 1.G77 N = 103.8536362(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3286e-01 1.F78 C = 179.7555248(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.9357e-02 1.F78 CA = 58.82431943(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.7211e-01 1.F78 H = 8.461413019(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8799e-01 1.F78 N = 114.5968406(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6143e-01 1.F79 C = 176.8136405(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.8373e-01 1.F79 CA = 55.52757825(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.2063e-01 1.F79 H = 6.821356022(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.2598e-02 1.F79 N = 112.1866998(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.8057e-02 1.G80 C = 175.183668(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.8470e-01 1.G80 CA = 46.53789845(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.7535e-01 1.G80 H = 7.435437804(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6874e-01 1.G80 N = 108.853879(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3298e-01 1.Q81 C = 174.3493489(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.1467e-01 1.Q81 CA = 55.3803401(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.7827e-01 1.Q81 H = 7.676915276(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5732e-01 1.Q81 N = 119.4304605(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.9843e-01 1.R82 C = 175.4706587(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.4356e-01 1.R82 CA = 55.5581987(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9987e-01 1.R82 H = 7.756771334(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2826e-01 1.R82 N = 125.7300415(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8035e-01 1.L83 C = 175.231186(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.7439e-01 1.L83 CA = 53.006234(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1978e-01 1.L83 H = 6.506269165(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0042e-03 1.L83 N = 122.768995(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1570e-01 1.D84 C = 175.5682926(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.3460e-01 1.D84 CA = 51.26244309(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.1325e-02 1.D84 H = 7.484789101(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5480e-01 1.D84 N = 119.0624233(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8086e-01 1.L85 CA = 59.5179417(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7247e-02 1.L85 H = 8.723542605(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4768e-01 1.L85 N = 118.4731111(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8516e-01 1.P86 C = 177.9730975(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.1794e-01 1.P86 CA = 66.38553702(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.4408e-02 1.A87 C = 179.3617721(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.4642e-01 1.A87 CA = 55.5235023(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2867e-01 1.A87 H = 7.52782949(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6259e-01 1.A87 N = 117.375709(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8177e-02 1.I88 C = 178.4243733(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.7998e-01 1.I88 CA = 65.56613197(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3990e-01 1.I88 H = 8.300766676(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.7564e-01 1.I88 N = 118.369043(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.7018e-01 1.I89 C = 178.5625132(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.5772e-01 1.I89 CA = 64.56819298(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6968e-01 1.I89 H = 8.716493459(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2094e-01 1.I89 N = 119.2204926(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.0080e-01 1.G90 C = 175.8191573(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.9984e-01 1.G90 CA = 47.74160121(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4298e-02 1.G90 H = 8.827936408(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4364e-01 1.G90 N = 107.3030774(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.4080e-01 1.M91 CA = 59.57666308(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.2005e-01 1.M91 H = 8.663137861(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.0165e-01 1.M91 N = 120.7250895(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.5880e-01 1.I101 C = 177.0320266(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.3813e-01 1.N102 C = 176.2154848(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.9736e-01 1.N102 CA = 56.57977509(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.0590e-01 1.N102 H = 7.346041263(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.1463e-01 1.N102 N = 114.2264529(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.4316e-01 1.L103 C = 177.9694261(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2084e-01 1.L103 CA = 56.48513539(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.8462e-01 1.L103 H = 8.343673804(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6117e-01 1.L103 N = 115.0516906(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0860e-02 1.L104 C = 176.9544039(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.8566e-01 1.L104 CA = 54.68101169(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.5933e-01 1.L104 H = 7.711921281(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2543e-01 1.L104 N = 114.3433835(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3938e-02 1.S105 C = 175.5510258(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.8830e-01 1.S105 CA = 57.94103206(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.0668e-01 1.S105 H = 7.111909743(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7724e-02 1.S105 N = 112.7666026(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1822e-01 1.R106 C = 176.6872507(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.9137e-01 1.R106 CA = 55.56023943(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.0048e-01 1.R106 H = 9.236837581(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0223e-01 1.R106 N = 127.0554191(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.9161e-02 1.S107 C = 174.3648609(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.8208e-01 1.S107 CA = 58.60150008(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5435e-01 1.S107 H = 8.370390822(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7824e-01 1.S107 N = 117.1701774(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0035e-01 1.T108 CA = 59.45104655(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8503e-01 1.T108 H = 7.825499479(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.0378e-01 1.T108 N = 117.27887(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.9554e-01 1.P109 C = 175.9687682(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.0490e-01 1.P109 CA = 63.23495242(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5014e-01 1.H110 CA = 56.82502229(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.9495e-01 1.H110 H = 7.909139891(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.2657e-01 1.H110 N = 123.5481732(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.3477e-01