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: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 P 0.2 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 177.689(D) CA :: 64.223(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 0.41 C 0.3 Y 0.09 V 0.07 F 0.05 E 0.04 C Shift Assignments>> C :: 178.12(D) CA :: 62.106(D) CB :: 36.544 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 :: 7.866(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 :: 115.739(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>> I 0.6 C 0.23 V 0.1 Y 0.03 F 0.02 C Shift Assignments>> C :: 177.958(D) CA :: 64.432(D) CB :: 36.743(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 :: 7.66(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(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>> Y 0.56 C 0.42 C Shift Assignments>> C :: 177.965(D) CA :: 60.393(D) CB :: 37.91 CE1 :: 117.601 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 :: 6.161(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 :: 116.843(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 H 0.08 Q 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 177.892(D) CA :: 57.22(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) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.921(D) CA :: 47.468(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.191(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.195(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 0.61 P 0.12 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 173.35(D) CA :: 47.854(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.944(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.634(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.26 I 0.04 C 0.02 C Shift Assignments>> C :: 180.141(D) CA :: 55.36(D) CB :: 17.431(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.224(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.423(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.317 CA :: 64.39 CB :: 36.666 CG1 :: 28.735 CG2 :: 17.052 CD1 :: 12.554 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 :: 7.326 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 :: 119.091 Ave N Shift Values>> N :: 121.46(4.28) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.18 L 0.17 Y 0.14 D 0.1 C 0.08 R 0.04 I 0.02 C Shift Assignments>> C :: 177.699 CA :: 57.351 CB :: 41.529 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 :: 7.477 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 :: 117.408 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.42 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 179.324(D) CA :: 55.278(D) CB :: 18.831 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.237 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.463 Ave N Shift Values>> N :: 123.23(3.54) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.7 E 0.21 Q 0.07 C Shift Assignments>> C :: 177.58(D) CA :: 61.056(D) CB :: 30.27(D) CG :: 35.931(D) CD :: 179.5 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 :: 7.497(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 :: 117.998(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 S 0.23 T 0.18 P 0.14 I 0.13 C 0.02 C Shift Assignments>> C :: 180.776 CA :: 65.419 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 :: 8.514 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 :: 114.341 Ave N Shift Values>> N :: 121.14(4.54) 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.851(D) CA :: 65.59(D) CB :: 36.716 CG1 :: 28.707 CG2 :: 17.447 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 :: 7.881 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 :: 122.13 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>> P 0.35 G 0.32 A 0.13 C 0.09 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 175.392(D) CA :: 48.224(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.275(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.228(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 176.282(D) CA :: 65.784(D) CB :: 67.628(D) CG2 :: 23.258(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 :: 10.386(S) 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 :: 123.509(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 T 0.3 I 0.01 C 0.01 C Shift Assignments>> C :: 177.041 CA :: 67.518 CG2 :: 20.699 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 :: 7.455 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 :: 120.807 Ave N Shift Values>> N :: 115.42(4.75) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 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.W63 1.W63 C Shift Assignments>> C :: 178.635(D) CA :: 58.088(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 :: 8.423 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 :: 121.662 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>> C 0.43 M 0.21 Q 0.21 K 0.1 E 0.02 C Shift Assignments>> C :: 181.803(D) CA :: 58.474(D) CB :: 31.073(D) CG :: 32.914 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 :: 8.454(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 :: 121.14(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 0.21 W 0.16 E 0.11 R 0.11 H 0.09 V 0.08 K 0.07 Q 0.05 M 0.05 I 0.02 C Shift Assignments>> C :: 178.721 CA :: 59.507(D) CB :: 30.976 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 :: 7.258(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 :: 124.854(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable 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 :: 176.32 CA :: 59.746 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) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.344 CA :: 60.43 CB :: 63.881 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.726 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 :: 113.008 Ave N Shift Values>> N :: 116.28(3.52) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.14 E 0.13 Q 0.12 I 0.04 R 0.04 C Shift Assignments>> C :: 177.93(D) CA :: 55.928(D) CB :: 26.497 CG :: 35.571 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 :: 7.376 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 :: 120.285 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 0.03 C Shift Assignments>> C :: 175.015(D) CA :: 46.2(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.076(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.763(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.13 C 0.12 S 0.1 T 0.09 Y 0.09 F 0.09 V 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 :: 173.666(D) CA :: 60.154 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 :: 7.731 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 :: 112.84 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 0.9 C 0.09 C Shift Assignments>> C :: 174.942 CA :: 61.688(D) CB :: 70.314 CG2 :: 20.965 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 :: 7.256(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 :: 100.945(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.29 K 0.14 G 0.04 C Shift Assignments>> C :: 177.876(D) CA :: 53.892(D) CB :: 31.202 CG :: 26.493 CD :: 42.835 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 :: 7.164 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 :: 118.74 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>> C 0.52 L 0.46 C Shift Assignments>> C :: 177.035(D) CA :: 59.706(D) CB :: 41.698 CG :: 26.32 CD1 :: 24.854 CD2 :: 22.785 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 :: 8.944(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 :: 130.377(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>> I 0.24 T 0.2 V 0.18 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 :: 177.205(D) CA :: 61.553(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 :: 9.098(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 :: 118.481(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 0.26 S 0.23 T 0.18 P 0.14 I 0.13 C 0.02 C Shift Assignments>> C :: 178.754(D) CA :: 65.41 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>> S 0.92 T 0.07 C Shift Assignments>> C :: 174.95(D) CA :: 63.984(D) CB :: 62.352(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.928(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 :: 113.635(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 0.92 C 0.07 C Shift Assignments>> C :: 178.103(D) CA :: 66.652(D) CB :: 31.503 CG1 :: 22.66 CG2 :: 21.33 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 :: 8.118(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.417(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 0.46 P 0.23 A 0.1 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.56(D) CA :: 48.053(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.421(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.93(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 C Shift Assignments>> C :: 174.928(D) CA :: 68.661(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 :: 7.947(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 :: 120.462(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>> I 0.78 C 0.14 Y 0.02 F 0.02 V 0.01 C Shift Assignments>> C :: 178.09(D) CA :: 65.535(D) CB :: 38.01 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 :: 7.342(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 :: 118.524(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.77 C 0.15 V 0.03 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.881(D) CA :: 65.814(D) CB :: 37.722 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 :: 8.038(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 :: 118.69(D) 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>> P 0.47 I 0.41 C 0.09 C Shift Assignments>> C :: 177.204(D) CA :: 65.336(D) CB :: 26.316(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.819(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 :: 116.055(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>> W 0.1 F 0.1 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 178.518(D) CA :: 57.744(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 :: 8.599(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 :: 119.178(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.12 D 0.11 M 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 N 0.05 E 0.04 A 0.04 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 178.424(D) CA :: 55.278(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.F78 1.F78 C Shift Assignments>> C :: 177.022(D) CA :: 62.832(D) CB :: 63.315 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.225(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 :: 112.157(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.22 T 0.2 P 0.18 I 0.16 S 0.13 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 178.547 CA :: 62.857 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) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.09 D 0.07 I 0.07 C Shift Assignments>> C :: 180.135 CA :: 58.077 CB :: 40.715 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 :: 8.594 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 :: 119.68 Ave N Shift Values>> N :: 121.86(3.9) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.32 I 0.24 K 0.02 C Shift Assignments>> CA :: 57.44 CB :: 39.821 CG :: 26.552 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 :: 9.026 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.075 Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.12 D 0.1 M 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 :: 180.292(D) CA :: 55.364(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 C 0.34 K 0.2 Q 0.04 M 0.01 C Shift Assignments>> C :: 177.545(D) CA :: 55.98(D) CB :: 26.448(D) CG :: 31.495 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 :: 6.913(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 :: 113.415(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 176.198(D) CA :: 55.882(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) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 M 0.36 C 0.01 C Shift Assignments>> C :: 177.804(D) CA :: 53.114(D) CB :: 17.373(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.655(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.336(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>> Y 0.74 C 0.23 G 0.01 C Shift Assignments>> C :: 174.819(D) CA :: 57.867(D) CB :: 42.274(D) CG :: 129.613 CD1 :: 132.688 CE1 :: 118.278 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 :: 7.241(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 :: 112.428(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 0.23 T 0.21 I 0.17 P 0.15 S 0.1 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.786 CA :: 62.613 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: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.881(D) CA :: 66.164 CB :: 68.313 CG2 :: 21.797 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 :: 8.231 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 :: 119.148 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 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 176.007(D) CA :: 46.849(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.667(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.834(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>> C 0.64 I 0.35 C Shift Assignments>> C :: 177.163(D) CA :: 64.271(D) CB :: 36.76 CG1 :: 28.915 CD1 :: 17.381 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 :: 6.562(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 :: 119.84(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>> M 0.71 A 0.21 I 0.05 C 0.01 C Shift Assignments>> C :: 177.971(D) CA :: 55.523(D) CB :: 17.133 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.233(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.073(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Y 0.35 F 0.28 C Shift Assignments>> C :: 177.628 CA :: 60.776 CB :: 37.327 CG :: 131.725 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 :: 8.574 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 :: 117.167 Ave N Shift Values>> N :: 120.52(4.2) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent 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 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 179.053(D) CA :: 55.508(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.711 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.842 Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 I 0.41 V 0.01 C Shift Assignments>> C :: 176.642(D) CA :: 65.516(D) CB :: 38.199(D) CG1 :: 22.634(D) CG2 :: 17.186(D) CD1 :: 13.247 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 :: 7.729(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 :: 114.655(D) Ave N Shift Values>> N :: 121.46(4.28) 1.W63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.66 W 0.28 H 0.05 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 180.517(D) CA :: 59.863(D) CB :: 28.031 CG :: 113.249 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 :: 8.465 HE1 :: 11.453(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 :: 121.643 NE1 :: 132.269(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.38 I 0.01 C Shift Assignments>> C :: 177.55(D) CA :: 64.109 CB :: 30.184 CG1 :: 19.671 CG2 :: 18.577 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 :: 8.401 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 :: 110.656 Ave N Shift Values>> N :: 121.14(4.54) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 C 0.1 P 0.09 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 173.595(D) CA :: 47.772(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.692(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.531(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.28 S 0.21 T 0.19 I 0.13 P 0.13 C 0.02 C Shift Assignments>> C :: 178.119(D) CA :: 65.667(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) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 175.976(D) CA :: 47.114(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.004(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.106(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.15 Y 0.02 F 0.02 V 0.02 C Shift Assignments>> C :: 179.088(D) CA :: 65.632(D) CB :: 37.938 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 :: 8.214(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 :: 118.071(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.148 CA :: 67.893 CB :: 31.209 CG1 :: 21.752 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 :: 8.594 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.002 Ave N Shift Values>> N :: 121.14(4.54) 1.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 L 0.29 I 0.21 K 0.11 R 0.02 C Shift Assignments>> C :: 179.435(D) CA :: 58.281(D) CB :: 40.721 CG :: 26.586 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 :: 8.323 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 :: 121.828 Ave N Shift Values>> N :: 121.86(3.9) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 C 0.29 Y 0.12 E 0.08 F 0.07 V 0.04 M 0.01 C Shift Assignments>> C :: 179.86(D) CA :: 61.222(D) CB :: 36.679 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 :: 9.229(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 :: 118.83(D) 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>> S 0.99 C Shift Assignments>> C :: 177.215 CA :: 63.272 CB :: 62.175 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.284 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 :: 121.719 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>> K 0.24 F 0.18 L 0.14 Y 0.13 R 0.11 C 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 178.686 CA :: 58.17 CB :: 42.087 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 :: 8.532 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 :: 122.468 Ave N Shift Values>> N :: 121.86(3.9) 1.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.21 Y 0.15 L 0.12 C 0.09 R 0.06 D 0.05 I 0.04 C Shift Assignments>> C :: 179.048(D) CA :: 58.324(D) CB :: 41.748 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 :: 8.657 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 :: 118.355 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>> S 0.99 C Shift Assignments>> C :: 177.257(D) CA :: 62.255(D) CB :: 62.902 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.018(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 :: 114.288(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>> C 0.16 W 0.13 K 0.13 Q 0.11 E 0.1 I 0.1 R 0.1 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 177.776(D) CA :: 58.615(D) CB :: 28.302(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 :: 7.588(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 :: 125.615(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 0.7 C 0.1 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 173.041(D) CA :: 47.711(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.947(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.96(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>> I 0.19 T 0.15 V 0.14 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 176.76(D) CA :: 60.845(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) 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 :: 112.184(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>> N 0.2 Y 0.2 F 0.17 C 0.16 D 0.1 L 0.04 E 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 176.469(D) CA :: 55.579(D) CB :: 38.434 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 :: 6.475(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 :: 110.781(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 0.06 C 0.04 C Shift Assignments>> C :: 174.646(D) CA :: 46.4(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.355(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.323(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 174.607 CA :: 56.437 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 :: 7.169 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 :: 118.534 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.32 G 0.1 K 0.06 C Shift Assignments>> C :: 175.478 CA :: 54.946 CB :: 31.319 CG :: 27.678 CD :: 43.593 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 :: 7.994 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.262 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: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 L 0.06 M 0.04 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 :: 174.501(D) CA :: 52.948(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 :: 8.322 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 :: 123.972 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>> D 0.3 L 0.24 G 0.13 R 0.08 N 0.08 C 0.06 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.209(D) CA :: 50.66(D) CB :: 42.536 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 :: 6.887(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 :: 117.252(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>> Y 0.28 I 0.23 F 0.23 C 0.19 E 0.02 L 0.01 C Shift Assignments>> C :: 175.602(D) CA :: 59.391(D) CB :: 38.613 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 :: 8.485(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 :: 118.471(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 0.35 T 0.21 S 0.15 I 0.15 P 0.08 C 0.03 C Shift Assignments>> C :: 177.559(D) CA :: 66.473(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>> M 0.67 A 0.23 I 0.06 C 0.02 C Shift Assignments>> C :: 179.148(D) CA :: 55.683(D) CB :: 17.575(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.285(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.076(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>> I 0.82 C 0.17 C Shift Assignments>> C :: 178.155(D) CA :: 64.459(D) CB :: 37.486(D) CG1 :: 28.82 CG2 :: 17.023 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 :: 7.633(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 :: 117.221(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 178.424(D) CA :: 64.636(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) 1.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.996(D) CA :: 47.63(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.466(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.357(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 0.28 V 0.25 K 0.1 W 0.08 R 0.05 M 0.05 Q 0.04 H 0.04 P 0.03 E 0.03 C Shift Assignments>> C :: 178.094(D) CA :: 60.32(D) CB :: 32.714(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 :: 8.584(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 :: 120.494(D) Ave N Shift Values>> N :: 120.09(3.57) 1.M92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 V 0.21 K 0.12 W 0.07 M 0.07 Q 0.06 R 0.05 H 0.04 E 0.03 P 0.01 C Shift Assignments>> C :: 178.304(D) CA :: 59.947(D) CB :: 32.911(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 :: 8.272(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 :: 119.483(D) 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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.24 K 0.2 C 0.13 I 0.12 R 0.11 P 0.1 Q 0.03 W 0.01 H 0.01 C Shift Assignments>> CB :: 25.787 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) 1.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.13 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 C 0.05 A 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 178.694(D) CA :: 55.07(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.53 A 0.15 G 0.14 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 175.002(D) CA :: 48.514(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.25(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.721(D) Ave N Shift Values>> N :: 109.67(3.87) 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: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> Y 0.23 F 0.22 C 0.14 D 0.13 N 0.12 L 0.06 I 0.04 E 0.01 C Shift Assignments>> C :: 176.511(D) CA :: 56.154(D) CB :: 39.006 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) N Shift Assignments>> N :: 114.765 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: Consistent N Shifts: Duplicate PRTL>> L 0.52 C 0.21 R 0.11 K 0.11 G 0.02 C Shift Assignments>> C :: 176.954(D) CA :: 54.735(D) CB :: 42.555(D) CG :: 27.061(D) CD1 :: 26.179 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.109 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 :: 113.283(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>> L 0.4 R 0.31 C 0.15 G 0.11 K 0.01 C Shift Assignments>> C :: 176.325(D) CA :: 54.252(D) CB :: 43.713(D) CG :: 26.809 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 :: 7.266(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 :: 114.466(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>> S 0.99 C Shift Assignments>> C :: 175.423(D) CA :: 57.014(D) CB :: 63.599(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.72(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 :: 110.786(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>> R 0.49 C 0.36 K 0.11 C Shift Assignments>> C :: 176.941 CA :: 55.815(D) CB :: 29.958 CG :: 26.933 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 :: 9.431(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 :: 127.5(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: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.VCJ1 Overall Status: Residue type VCJ not supported. ########################################################################### Overall Results: #Consistent: 33 #Clerical: 76 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 94 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 16 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 117 #Duplicate: 171 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 27 #Duplicate: 52 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 27 #Duplicate: 54 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P3 C = 177.689(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.3404e-01 1.P3 CA = 64.223(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.5687e-01 1.Y4 C = 178.12(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.7168e-01 1.Y4 CA = 62.106(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1318e-01 1.Y4 H = 7.866(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.3400e-01 1.Y4 N = 115.739(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.5498e-01 1.I5 C = 177.958(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.7224e-01 1.I5 CA = 64.432(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9235e-01 1.I5 CB = 36.743(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.5022e-01 1.I5 H = 7.66(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6189e-01 1.I5 N = 120(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3301e-01 1.Y6 C = 177.965(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.9742e-01 1.Y6 CA = 60.393(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.6727e-01 1.Y6 H = 6.161(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.1011e-03 1.Y6 N = 116.843(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.8132e-01 1.L7 C = 177.892(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4871e-01 1.L7 CA = 57.22(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5255e-01 1.G8 C = 174.921(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.7613e-01 1.G8 CA = 47.468(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1397e-01 1.G8 H = 8.191(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3067e-01 1.G8 N = 104.195(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5715e-01 1.G9 C = 173.35(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8209e-01 1.G9 CA = 47.854(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.1671e-02 1.G9 H = 7.944(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5262e-01 1.G9 N = 106.634(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3275e-01 1.A10 C = 180.141(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5965e-01 1.A10 CA = 55.36(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6220e-01 1.A10 CB = 17.431(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.8822e-01 1.A10 H = 8.224(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6809e-01 1.A10 N = 125.423(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3559e-01 1.A13 C = 179.324(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.5708e-01 1.A13 CA = 55.278(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8023e-01 1.E14 C = 177.58(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1578e-01 1.E14 CA = 61.056(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3847e-02 1.E14 CB = 30.27(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7985e-01 1.E14 CG = 35.931(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.8043e-01 1.E14 H = 7.497(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5799e-01 1.E14 N = 117.998(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.4260e-01 1.I16 C = 177.851(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9732e-01 1.I16 CA = 65.59(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3752e-01 1.G17 C = 175.392(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.1819e-01 1.G17 CA = 48.224(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.1971e-02 1.G17 H = 8.275(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3257e-01 1.G17 N = 111.228(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8725e-01 1.T18 C = 176.282(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.2229e-01 1.T18 CA = 65.784(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6880e-01 1.T18 CB = 67.628(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.9720e-01 1.T18 CG2 = 23.258(D), Expected = 21.55, Std = 1.1100, ChiSquare = 1.2387e-01 1.T18 H = 10.386(S), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3759e-04 1.T18 N = 123.509(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.8578e-02 1.L20 C = 178.635(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.0608e-01 1.L20 CA = 58.088(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4658e-01 1.M21 C = 181.803(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.1360e-03 1.M21 CA = 58.474(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.8910e-01 1.M21 CB = 31.073(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.9211e-01 1.M21 H = 8.454(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.4644e-01 1.M21 N = 121.14(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.6867e-01 1.K22 CA = 59.507(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4512e-01 1.K22 H = 7.258(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2034e-01 1.K22 N = 124.854(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1297e-01 1.E25 C = 177.93(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.8672e-01 1.E25 CA = 55.928(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0539e-01 1.G26 C = 175.015(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.4250e-01 1.G26 CA = 46.2(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.2587e-01 1.G26 H = 9.076(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.5110e-01 1.G26 N = 111.763(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8863e-01 1.F27 C = 173.666(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.7810e-01 1.T28 CA = 61.688(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3726e-01 1.T28 H = 7.256(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.1249e-01 1.T28 N = 100.945(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3085e-03 1.R29 C = 177.876(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.7019e-01 1.R29 CA = 53.892(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1281e-01 1.L30 C = 177.035(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.8187e-01 1.L30 CA = 59.706(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5072e-02 1.L30 H = 8.944(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7200e-01 1.L30 N = 130.377(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.8974e-02 1.W31 C = 177.205(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.8933e-01 1.W31 CA = 61.553(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.3132e-01 1.W31 H = 9.098(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.0641e-01 1.W31 N = 118.481(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.4409e-01 1.P32 C = 178.754(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.8446e-01 1.S33 C = 174.95(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4785e-01 1.S33 CA = 63.984(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0991e-02 1.S33 CB = 62.352(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.2789e-01 1.S33 H = 6.928(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.1933e-02 1.S33 N = 113.635(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.5240e-01 1.V34 C = 178.103(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.9127e-01 1.V34 CA = 66.652(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4560e-01 1.V34 H = 8.118(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9740e-01 1.V34 N = 121.417(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5135e-01 1.G35 C = 174.56(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.1360e-01 1.G35 CA = 48.053(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.3678e-02 1.G35 H = 8.421(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8866e-01 1.G35 N = 103.93(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3802e-01 1.T36 C = 174.928(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.2552e-01 1.T36 CA = 68.661(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2887e-02 1.T36 H = 7.947(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3651e-01 1.T36 N = 120.462(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.8847e-01 1.I37 C = 178.09(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.4334e-01 1.I37 CA = 65.535(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4304e-01 1.I37 H = 7.342(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6777e-01 1.I37 N = 118.524(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.9273e-01 1.I38 C = 177.881(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9014e-01 1.I38 CA = 65.814(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1673e-01 1.I38 H = 8.038(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2193e-01 1.I38 N = 118.69(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.1751e-01 1.C39 C = 177.204(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.7620e-01 1.C39 CA = 65.336(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.4608e-02 1.C39 CB = 26.316(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.0429e-01 1.C39 H = 7.819(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.9408e-01 1.C39 N = 116.055(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.7516e-01 1.Y40 C = 178.518(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.1715e-01 1.Y40 CA = 57.744(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.7778e-01 1.Y40 H = 8.599(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0232e-01 1.Y40 N = 119.178(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.4933e-01 1.A42 C = 178.424(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.4811e-01 1.A42 CA = 55.278(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8023e-01 1.S43 C = 177.022(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.6256e-01 1.S43 CA = 62.832(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6981e-02 1.S43 H = 8.225(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2573e-01 1.S43 N = 112.157(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.4148e-01 1.A48 C = 180.292(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.3087e-01 1.A48 CA = 55.364(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6134e-01 1.Q49 C = 177.545(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.2652e-01 1.Q49 CA = 55.98(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8278e-01 1.Q49 CB = 26.448(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.3191e-01 1.Q49 H = 6.913(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.6743e-02 1.Q49 N = 113.415(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.2080e-02 1.L51 C = 176.198(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.8916e-01 1.L51 CA = 55.882(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.0210e-01 1.A52 C = 177.804(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7603e-01 1.A52 CA = 53.114(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.8952e-01 1.A52 CB = 17.373(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.7104e-01 1.A52 H = 6.655(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0024e-02 1.A52 N = 118.336(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6682e-01 1.Y53 C = 174.819(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.7032e-01 1.Y53 CA = 57.867(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.1655e-01 1.Y53 CB = 42.274(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.7144e-01 1.Y53 H = 7.241(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.3939e-01 1.Y53 N = 112.428(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.4021e-02 1.T56 C = 175.881(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.4610e-01 1.G57 C = 176.007(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.5566e-01 1.G57 CA = 46.849(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.6329e-01 1.G57 H = 8.667(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.0414e-01 1.G57 N = 106.834(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6367e-01 1.I58 C = 177.163(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.9407e-01 1.I58 CA = 64.271(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.2075e-01 1.I58 H = 6.562(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.1522e-02 1.I58 N = 119.84(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.0506e-01 1.A59 C = 177.971(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1364e-01 1.A59 CA = 55.523(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2877e-01 1.A59 H = 7.233(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0703e-01 1.A59 N = 120.073(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7250e-01 1.A61 C = 179.053(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3761e-01 1.A61 CA = 55.508(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3171e-01 1.I62 C = 176.642(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.7997e-01 1.I62 CA = 65.516(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4499e-01 1.I62 CB = 38.199(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.3104e-01 1.I62 CG1 = 22.634(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.5158e-03 1.I62 CG2 = 17.186(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.0031e-01 1.I62 H = 7.729(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1777e-01 1.I62 N = 114.655(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.1185e-01 1.W63 C = 180.517(D), Expected = 176.12, Std = 2.0100, ChiSquare = 2.8702e-02 1.W63 CA = 59.863(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.9317e-01 1.W63 HE1 = 11.453(D), Expected = 10.08, Std = 0.6600, ChiSquare = 3.7498e-02 1.W63 NE1 = 132.269(D), Expected = 129.32, Std = 2.1100, ChiSquare = 1.6222e-01 1.V64 C = 177.55(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.0973e-01 1.G65 C = 173.595(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8370e-01 1.G65 CA = 47.772(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0690e-02 1.G65 H = 7.692(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2633e-01 1.G65 N = 103.531(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1267e-01 1.V66 C = 178.119(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.8842e-01 1.V66 CA = 65.667(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6664e-01 1.G67 C = 175.976(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.6262e-01 1.G67 CA = 47.114(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.8803e-01 1.G67 H = 9.004(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9977e-01 1.G67 N = 110.106(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1030e-01 1.I68 C = 179.088(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1708e-02 1.I68 CA = 65.632(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3342e-01 1.I68 H = 8.214(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2268e-01 1.I68 N = 118.071(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.2846e-01 1.L70 C = 179.435(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1689e-01 1.L70 CA = 58.281(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1156e-01 1.I71 C = 179.86(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.6749e-02 1.I71 CA = 61.222(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.8489e-01 1.I71 H = 9.229(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6284e-01 1.I71 N = 118.83(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.3889e-01 1.L74 C = 179.048(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9862e-01 1.L74 CA = 58.324(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0427e-01 1.S75 C = 177.257(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.2524e-01 1.S75 CA = 62.255(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7687e-02 1.S75 H = 8.018(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5699e-01 1.S75 N = 114.288(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7146e-01 1.W76 C = 177.776(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.1001e-01 1.W76 CA = 58.615(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.1127e-01 1.W76 CB = 28.302(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.9546e-01 1.W76 H = 7.588(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.7421e-01 1.W76 N = 125.615(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.4651e-01 1.G77 C = 173.041(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.5924e-01 1.G77 CA = 47.711(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8079e-02 1.G77 H = 7.947(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5571e-01 1.G77 N = 102.96(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2945e-02 1.F78 C = 176.76(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.0071e-01 1.F78 CA = 60.845(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.8198e-01 1.F78 H = 8.118(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.3679e-01 1.F78 N = 112.184(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.7984e-02 1.F79 C = 176.469(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.9810e-01 1.F79 CA = 55.579(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.3048e-01 1.F79 H = 6.475(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8432e-03 1.F79 N = 110.781(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.0714e-02 1.G80 C = 174.646(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.7978e-01 1.G80 CA = 46.4(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.3329e-01 1.G80 H = 7.355(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.3361e-01 1.G80 N = 109.323(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2855e-01 1.L83 C = 174.501(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0873e-01 1.L83 CA = 52.948(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0967e-01 1.D84 C = 175.209(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.9614e-01 1.D84 CA = 50.66(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.7120e-02 1.D84 H = 6.887(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4149e-02 1.D84 N = 117.252(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7869e-01 1.L85 C = 175.602(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.8330e-01 1.L85 CA = 59.391(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.6657e-02 1.L85 H = 8.485(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9483e-01 1.L85 N = 118.471(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8486e-01 1.P86 C = 177.559(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.9212e-01 1.P86 CA = 66.473(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.8662e-02 1.A87 C = 179.148(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.0859e-01 1.A87 CA = 55.683(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9902e-01 1.A87 CB = 17.575(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.3295e-01 1.A87 H = 7.285(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2726e-01 1.A87 N = 117.076(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2137e-02 1.I88 C = 178.155(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.2994e-01 1.I88 CA = 64.459(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8775e-01 1.I88 CB = 37.486(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.7116e-01 1.I88 H = 7.633(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.4137e-01 1.I88 N = 117.221(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.2197e-01 1.I89 C = 178.424(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.8004e-01 1.I89 CA = 64.636(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5885e-01 1.G90 C = 175.996(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.5812e-01 1.G90 CA = 47.63(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8851e-02 1.G90 H = 8.466(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3427e-01 1.G90 N = 107.357(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5006e-01 1.M91 C = 178.094(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.5978e-01 1.M91 CA = 60.32(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.9041e-02 1.M91 CB = 32.714(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.0194e-01 1.M91 H = 8.584(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.8920e-01 1.M91 N = 120.494(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.0990e-01 1.M92 C = 178.304(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.0950e-01 1.M92 CA = 59.947(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.5318e-02 1.M92 CB = 32.911(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.7187e-01 1.M92 H = 8.272(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8404e-01 1.M92 N = 119.483(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.6499e-01 1.A96 C = 178.694(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5423e-01 1.A96 CA = 55.07(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2969e-01 1.G97 C = 175.002(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.4709e-01 1.G97 CA = 48.514(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.8216e-02 1.G97 H = 8.25(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0205e-01 1.G97 N = 104.721(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.0096e-01 1.N102 C = 176.511(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.8812e-01 1.N102 CA = 56.154(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.6440e-01 1.L103 C = 176.954(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.8549e-01 1.L103 CA = 54.735(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7778e-01 1.L103 CB = 42.555(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9631e-01 1.L103 CG = 27.061(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.9837e-01 1.L103 N = 113.283(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7862e-02 1.L104 C = 176.325(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.3698e-01 1.L104 CA = 54.252(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.2071e-01 1.L104 CB = 43.713(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.5550e-01 1.L104 H = 7.266(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3805e-01 1.L104 N = 114.466(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7974e-02 1.S105 C = 175.423(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.4060e-01 1.S105 CA = 57.014(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.0985e-01 1.S105 CB = 63.599(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9197e-01 1.S105 H = 6.72(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.1916e-03 1.S105 N = 110.786(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1857e-01 1.R106 CA = 55.815(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.7930e-01 1.R106 H = 9.431(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0884e-02 1.R106 N = 127.5(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8660e-02