Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 L 0.08 E 0.07 W 0.07 C 0.06 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 34.088(A) CA :: 56.447 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 :: 8.242 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 :: 120.397 Ave N Shift Values>> N :: 120.09(3.57) SRO Rule Breaks>> (C > CA : 1.0000) 1.S2 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.11 W 0.1 K 0.1 R 0.09 C 0.09 Y 0.08 H 0.08 Q 0.08 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 65.043(A) CA :: 57.339 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.201 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 :: 119.630 Ave N Shift Values>> N :: 116.28(3.52) 1.A3 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 A 0.23 N 0.14 D 0.05 L 0.02 C 0.02 M 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 20.926(A) CA :: 50.946 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.991 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.407 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.L4 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 G 0.17 A 0.15 C 0.06 N 0.05 D 0.01 HN Overlap>> 1.I93 1.T94 1.I93 1.T94 C Shift Assignments>> C :: 43.819(A) CA :: 48.445(S) 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 :: 9.147 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 :: 128.511 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) 1.T5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.24 T 0.22 I 0.18 P 0.15 S 0.1 C 0.05 Y 0.01 W 0.01 C Shift Assignments>> C :: 69.701(A) CA :: 62.561 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 :: 9.488 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 :: 125.766 Ave N Shift Values>> N :: 115.42(4.75) 1.L6 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 Y 0.01 C Shift Assignments>> C :: 43.545(A) CA :: 52.568 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 :: 8.762 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 :: 128.039 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) 1.D7 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 A 0.18 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.03 K 0.03 W 0.02 E 0.01 Y 0.01 C Shift Assignments>> C :: 44.973(A) CA :: 53.691 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.463 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.283 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) 1.H8 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.13 L 0.1 A 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 C 0.04 W 0.03 E 0.03 Y 0.02 C Shift Assignments>> C :: 32.088(A) CA :: 54.343 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 :: 9.845 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 :: 131.563 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (C > CA : 1.0000) 1.S9 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 Y 0.13 S 0.11 W 0.11 E 0.08 K 0.07 R 0.07 H 0.06 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 :: 65.217(A) CA :: 58.268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.038 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 :: 121.991 Ave N Shift Values>> N :: 116.28(3.52) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.25 R 0.13 C 0.04 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.476 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.524 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.038 Ave N Shift Values>> N :: 109.67(3.87) 1.A11 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 A 0.15 N 0.08 D 0.03 C 0.01 L 0.01 C Shift Assignments>> C :: 16.709(A) CA :: 50.532 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.145 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.021 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.Y12 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.11 N 0.1 M 0.09 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 Y 0.02 C Shift Assignments>> C :: 39.381(A) CA :: 54.570 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 :: 7.234 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 :: 113.721 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) 1.V13 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.2 P 0.18 I 0.16 S 0.12 C 0.04 Y 0.01 W 0.01 C Shift Assignments>> C :: 32.525(A) CA :: 62.818 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 :: 9.354 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.597 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.A14 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 A 0.11 N 0.05 D 0.02 C 0.01 C Shift Assignments>> C :: 23.032(A) CA :: 49.869 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.216 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.592 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.K15 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.11 M 0.1 H 0.09 Q 0.08 R 0.08 K 0.06 C 0.05 W 0.05 E 0.05 N 0.05 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 36.914(A) CA :: 55.345 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.480 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 :: 113.591 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) 1.Y16 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.11 W 0.1 K 0.1 R 0.09 C 0.09 Y 0.08 H 0.08 Q 0.08 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 42.895(A) CA :: 57.337 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 :: 10.244 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 :: 123.836 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) 1.N17 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.16 A 0.13 L 0.1 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 Y 0.02 C Shift Assignments>> C :: 42.042(A) CA :: 54.096 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 :: 9.303 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.089 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) 1.I18 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 C 0.1 S 0.06 Y 0.06 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 39.679(A) CA :: 61.107 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 :: 10.333 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 :: 129.239 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) 1.T19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.13 I 0.11 Y 0.11 W 0.09 T 0.08 V 0.08 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 72.936(A) CA :: 59.843 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 :: 8.993 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 :: 119.563 Ave N Shift Values>> N :: 115.42(4.75) 1.W20 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.12 C 0.12 W 0.11 E 0.09 S 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 29.311(A) CA :: 58.012 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 :: 8.251 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 :: 117.311 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) 1.E21 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.12 M 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 34.850(A) CA :: 55.243 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 :: 9.252 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 :: 118.167 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.E22 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.12 M 0.09 N 0.08 H 0.07 Q 0.07 A 0.07 R 0.06 K 0.05 C 0.05 W 0.04 E 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 34.545(A) CA :: 54.792 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.794 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.290 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.V23 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.14 Y 0.11 W 0.09 I 0.09 V 0.06 T 0.06 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 :: 31.786(A) CA :: 59.581 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 :: 8.310 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.138 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.S24 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.11 Q 0.11 R 0.1 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 65.241(A) CA :: 56.496 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.224 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 :: 122.283 Ave N Shift Values>> N :: 116.28(3.52) 1.Y25 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 Y 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 41.183(A) CA :: 56.484 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 :: 8.233 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 :: 116.999 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) 1.N26 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 A 0.21 N 0.13 D 0.05 C 0.02 L 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 38.621(A) CA :: 50.854 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.380 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.907 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) 1.E27 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.14 Y 0.11 W 0.09 I 0.08 E 0.06 V 0.06 T 0.05 K 0.05 R 0.04 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 28.991(A) CA :: 59.490 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.936 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.300 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.A28 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.24 D 0.1 P 0.08 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 18.858(A) CA :: 51.816 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.568 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.423 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.303 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.851 Ave N Shift Values>> N :: 109.67(3.87) 1.E30 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.13 M 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 N 0.06 C 0.05 W 0.05 A 0.04 E 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 30.272(A) CA :: 55.145 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.047 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 :: 120.520 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.E31 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.11 H 0.11 R 0.1 K 0.09 M 0.09 E 0.08 W 0.07 L 0.07 C 0.06 Y 0.06 D 0.04 S 0.03 N 0.01 C Shift Assignments>> C :: 30.971(A) CA :: 56.573 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.463 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 :: 120.710 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.V32 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.2 V 0.19 C 0.09 P 0.05 S 0.05 Y 0.05 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 34.078(A) CA :: 61.428 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 :: 8.579 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 :: 125.509 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.W33 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.11 Q 0.1 R 0.1 K 0.09 L 0.08 E 0.07 W 0.07 C 0.06 Y 0.05 D 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 30.328(A) CA :: 56.309 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 :: 8.664 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 :: 127.224 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) 1.E34 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.02 Y 0.01 E 0.01 HN Overlap>> 1.T79 1.T79 C Shift Assignments>> C :: 32.967(A) CA :: 52.718 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 :: 9.390 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.168 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.P35 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.21 P 0.21 T 0.19 I 0.15 S 0.14 C 0.04 Y 0.01 C Shift Assignments>> C :: 32.380(A) CA :: 62.992 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) SRO Rule Breaks>> (C > CA : 1.0000) 1.K36 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.02 Y 0.01 E 0.01 C Shift Assignments>> C :: 34.414(A) CA :: 52.671 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.928 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.781 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) 1.A37 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> C :: 22.541(A) CA :: 49.951 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.743 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.736 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.W38 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.11 R 0.1 Q 0.1 H 0.09 E 0.09 W 0.08 M 0.08 C 0.07 Y 0.07 L 0.06 S 0.04 D 0.03 C Shift Assignments>> C :: 29.234(A) CA :: 56.885 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 :: 7.670 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.832 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) 1.D39 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.11 H 0.11 R 0.1 K 0.09 M 0.09 E 0.08 W 0.07 L 0.07 C 0.06 Y 0.06 D 0.04 S 0.03 N 0.01 C Shift Assignments>> C :: 39.963(A) CA :: 56.553 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.628 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.602 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) 1.K40 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Indeterminable C Shift Assignments>> C :: 29.538(A) 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 :: 55.105(A) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.N41 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 A 0.16 D 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 E 0.02 Y 0.02 C Shift Assignments>> C :: 36.909(A) CA :: 53.842 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 :: 7.340 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 :: 122.226 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.205 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.054 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.874 Ave N Shift Values>> N :: 109.67(3.87) 1.V43 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.24 V 0.2 S 0.18 T 0.17 I 0.13 C 0.03 Y 0.01 C Shift Assignments>> C :: 32.214(A) CA :: 63.270 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 :: 7.644 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.032 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.N44 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.24 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 Y 0.01 E 0.01 C Shift Assignments>> C :: 38.132(A) CA :: 53.176 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.804 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 :: 125.257 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) 1.L45 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.11 N 0.1 M 0.09 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 Y 0.02 C Shift Assignments>> C :: 45.514(A) CA :: 54.611 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 :: 9.637 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 :: 127.796 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) 1.T46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.13 Y 0.11 I 0.1 W 0.09 T 0.07 V 0.07 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 :: 71.037(A) CA :: 59.726 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 :: 8.160 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.579 Ave N Shift Values>> N :: 115.42(4.75) 1.S47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.15 A 0.12 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 Y 0.02 C Shift Assignments>> C :: 64.039(A) CA :: 54.188 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.377 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 :: 114.925 Ave N Shift Values>> N :: 116.28(3.52) 1.H48 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.13 C 0.12 W 0.11 S 0.1 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 31.228(A) CA :: 58.109 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 :: 7.871 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 :: 121.340 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (C > CA : 1.0000) 1.W49 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.11 K 0.1 W 0.09 R 0.09 H 0.08 Q 0.08 C 0.08 Y 0.08 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 32.917(A) CA :: 57.211 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 :: 8.121 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 :: 130.919 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) 1.S50 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.11 R 0.1 E 0.1 Q 0.09 H 0.09 W 0.09 C 0.08 M 0.07 Y 0.07 L 0.05 S 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 65.281(A) CA :: 57.047 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.028 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 :: 119.224 Ave N Shift Values>> N :: 116.28(3.52) 1.E51 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.11 K 0.1 Q 0.1 H 0.1 E 0.09 M 0.08 W 0.08 C 0.07 Y 0.06 L 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 35.528(A) CA :: 56.791 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 :: 7.511 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 :: 121.904 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.T52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.24 V 0.22 I 0.21 P 0.1 C 0.06 S 0.06 Y 0.02 W 0.02 C Shift Assignments>> C :: 70.379(A) CA :: 62.102 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 :: 8.636 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 :: 119.813 Ave N Shift Values>> N :: 115.42(4.75) 1.I53 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 T 0.14 V 0.13 C 0.12 S 0.09 Y 0.08 W 0.06 E 0.02 R 0.02 K 0.02 P 0.02 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 40.592(A) CA :: 60.654 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 :: 9.368 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 :: 131.176 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) 1.Q54 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.12 L 0.11 A 0.09 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 Y 0.02 HN Overlap>> 1.A73 1.A73 C Shift Assignments>> C :: 29.255(A) CA :: 54.437 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 :: 8.508 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 :: 124.687 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (C > CA : 1.0000) 1.I55 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.12 Y 0.11 C 0.1 E 0.1 K 0.08 R 0.08 S 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 41.390(A) CA :: 57.775 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 :: 8.800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.185 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) 1.P56 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.28 P 0.2 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 32.494(A) CA :: 64.223 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) SRO Rule Breaks>> (C > CA : 1.0000) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.790 Ave N Shift Values>> N :: 109.67(3.87) 1.N58 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.23 P 0.11 D 0.09 L 0.04 M 0.03 C 0.03 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 36.961(A) CA :: 51.693 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.019 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 :: 115.601 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) 1.A59 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 Y 0.01 C Shift Assignments>> C :: 21.593(A) CA :: 52.583 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.889 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.R60 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.19 A 0.16 D 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 E 0.02 Y 0.02 C Shift Assignments>> C :: 33.836(A) CA :: 53.896 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.961 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 :: 113.106 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) 1.N61 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 A 0.2 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.03 K 0.03 W 0.02 E 0.01 Y 0.01 C Shift Assignments>> C :: 36.042(A) CA :: 53.594 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.599 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 :: 114.865 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) 1.L62 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 E 0.06 W 0.06 D 0.06 C 0.06 Y 0.05 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 41.186(A) CA :: 56.007 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 :: 8.402 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 :: 120.105 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) 1.H63 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.11 M 0.1 H 0.09 Q 0.08 R 0.08 K 0.06 C 0.05 W 0.05 N 0.05 E 0.05 A 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 31.633(A) CA :: 55.330 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 :: 9.718 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 :: 128.061 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (C > CA : 1.0000) 1.V64 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.2 V 0.19 C 0.09 P 0.05 S 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 35.358(A) CA :: 61.472 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 :: 7.987 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 :: 125.747 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.N65 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 Y 0.01 C Shift Assignments>> C :: 44.310(A) CA :: 52.596 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.275 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 :: 126.846 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) 1.I66 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 C 0.1 S 0.06 Y 0.06 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 41.142(A) CA :: 61.098 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 :: 9.355 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.303 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) 1.Q67 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.16 A 0.13 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 Y 0.02 C Shift Assignments>> C :: 34.805(A) CA :: 54.131 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.804 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 :: 126.243 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (C > CA : 1.0000) 1.E68 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.24 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 Y 0.01 E 0.01 C Shift Assignments>> C :: 30.922(A) CA :: 53.169 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 :: 9.239 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 :: 116.086 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.C69 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 Q 0.1 H 0.1 K 0.1 M 0.09 E 0.08 W 0.07 C 0.07 L 0.07 Y 0.06 D 0.03 S 0.03 N 0.01 C Shift Assignments>> C :: 25.559(A) CA :: 56.677 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.378 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 :: 123.802 Ave N Shift Values>> N :: 120.17(4.64) SRO Rule Breaks>> (C > CA : 1.0000) 1.T70 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.21 P 0.17 I 0.16 S 0.12 C 0.04 Y 0.01 W 0.01 C Shift Assignments>> C :: 69.483(A) CA :: 62.747 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 :: 8.206 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 :: 119.195 Ave N Shift Values>> N :: 115.42(4.75) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 C Shift Assignments>> CA :: 45.181 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.809 Ave N Shift Values>> N :: 109.67(3.87) 1.L72 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 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 Y 0.01 E 0.01 HN Overlap>> 1.H48 1.H48 C Shift Assignments>> C :: 40.832(A) CA :: 52.964 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 :: 7.910 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 :: 121.431 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) 1.A73 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent 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 0.05 E 0.04 Y 0.03 S 0.01 HN Overlap>> 1.Q54 1.Q54 C Shift Assignments>> C :: 18.525(A) CA :: 55.080 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.679 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.W74 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.11 K 0.1 Q 0.1 H 0.1 E 0.09 W 0.08 M 0.08 C 0.07 Y 0.06 L 0.06 S 0.04 D 0.03 C Shift Assignments>> C :: 28.115(A) CA :: 56.840 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 :: 6.802 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 :: 111.028 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) 1.E75 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 E 0.06 W 0.06 D 0.06 C 0.06 Y 0.05 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 29.333(A) CA :: 56.017 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 :: 7.055 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.595 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.W76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.508 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 :: 127.998 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W77 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.14 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 A 0.05 C 0.05 W 0.05 E 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 31.552(A) CA :: 55.051 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) SRO Rule Breaks>> (C > CA : 1.0000) 1.R78 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.15 A 0.12 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 Y 0.02 C Shift Assignments>> C :: 33.836(A) CA :: 54.192 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 :: 9.272 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.416 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) 1.T79 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous 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 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> C :: 68.714(A) CA :: 64.878 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 :: 9.340 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.175 Ave N Shift Values>> N :: 115.42(4.75) 1.V80 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 T 0.2 P 0.18 I 0.16 S 0.13 C 0.04 Y 0.01 W 0.01 C Shift Assignments>> C :: 33.846(A) CA :: 62.838 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 :: 9.072 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 :: 128.658 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.Y81 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.11 Q 0.1 H 0.1 K 0.1 M 0.08 E 0.08 W 0.08 C 0.07 L 0.06 Y 0.06 S 0.03 D 0.03 N 0.01 C Shift Assignments>> C :: 42.899(A) CA :: 56.710 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 :: 7.261 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 :: 119.977 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) 1.D82 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.14 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 A 0.05 C 0.05 W 0.05 E 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 43.207(A) CA :: 55.048 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.155 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.573 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) 1.K83 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 E 0.06 W 0.06 D 0.06 C 0.06 Y 0.05 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 37.631(A) CA :: 56.045 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.005 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.587 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) 1.D84 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.17 D 0.16 A 0.14 L 0.09 M 0.07 H 0.06 R 0.05 Q 0.05 C 0.04 K 0.04 W 0.03 E 0.02 Y 0.02 C Shift Assignments>> C :: 41.556(A) CA :: 54.007 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.219 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.972 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) 1.L85 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.3 A 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 :: 46.833(A) CA :: 51.228 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 :: 8.268 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 :: 123.703 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) 1.P86 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.26 T 0.21 V 0.19 C 0.08 P 0.06 Y 0.04 S 0.04 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 32.077(A) CA :: 61.544 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) SRO Rule Breaks>> (C > CA : 1.0000) 1.L87 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 39.809(A) CA :: 55.600 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 :: 8.742 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.029 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (C > CA : 1.0000) 1.V88 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.14 C 0.14 Y 0.12 W 0.1 I 0.07 E 0.06 K 0.05 R 0.05 V 0.04 T 0.04 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 33.253(A) CA :: 59.286 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 :: 6.668 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 :: 115.414 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.58 A 0.15 G 0.1 N 0.06 C 0.05 D 0.01 C Shift Assignments>> CA :: 48.617 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.908 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.659 Ave N Shift Values>> N :: 109.67(3.87) 1.Q90 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.11 H 0.1 Q 0.09 R 0.09 K 0.08 D 0.06 E 0.06 W 0.06 C 0.06 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> C :: 32.255(A) CA :: 55.956 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.594 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 :: 119.297 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (C > CA : 1.0000) 1.R91 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 A 0.19 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.03 K 0.03 W 0.02 E 0.01 Y 0.01 C Shift Assignments>> C :: 34.529(A) CA :: 53.667 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.448 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 :: 127.433 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) 1.K92 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.12 L 0.11 A 0.09 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 Y 0.02 C Shift Assignments>> C :: 36.061(A) CA :: 54.449 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 :: 9.515 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 :: 129.057 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) 1.I93 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 C 0.13 T 0.12 V 0.11 S 0.1 Y 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.01 M 0.01 P 0.01 HN Overlap>> 1.L4 1.L4 1.T94 1.T94 C Shift Assignments>> C :: 39.982(A) CA :: 60.358 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 :: 9.083 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 :: 128.524 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) 1.T94 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 T 0.21 V 0.19 C 0.08 P 0.06 Y 0.04 S 0.04 W 0.03 E 0.01 HN Overlap>> 1.L4 1.I93 1.L4 1.I93 C Shift Assignments>> C :: 70.753(A) CA :: 61.582 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 :: 9.104 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 :: 128.517 Ave N Shift Values>> N :: 115.42(4.75) 1.I95 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.14 Y 0.11 I 0.09 W 0.09 V 0.06 T 0.06 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 :: 39.329(A) CA :: 59.620 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 :: 8.892 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 :: 118.174 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) 1.W96 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.11 H 0.11 R 0.1 K 0.09 M 0.09 E 0.08 W 0.07 L 0.07 C 0.06 Y 0.06 D 0.03 S 0.03 N 0.01 C Shift Assignments>> C :: 29.397(A) CA :: 56.600 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 :: 9.041 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 :: 120.716 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.19 R 0.07 C 0.04 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.742 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.558 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.290 Ave N Shift Values>> N :: 109.67(3.87) 1.T98 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.13 Y 0.11 I 0.1 W 0.09 T 0.06 V 0.06 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 :: 72.186(A) CA :: 59.660 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 :: 7.425 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 :: 110.923 Ave N Shift Values>> N :: 115.42(4.75) 1.T99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.706 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 :: 108.807 Ave N Shift Values>> N :: 115.42(4.75) 1.L100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.22 V 0.21 T 0.18 S 0.16 I 0.14 C 0.03 Y 0.01 C Shift Assignments>> CA :: 63.085 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.Q103 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.16 D 0.16 A 0.13 L 0.1 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 Y 0.02 C Shift Assignments>> C :: 32.886(A) CA :: 54.083 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 :: 7.859 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 :: 119.686 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (C > CA : 1.0000) 1.Y104 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 H 0.1 Q 0.1 L 0.09 R 0.09 K 0.08 E 0.07 W 0.06 C 0.06 D 0.05 Y 0.05 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 42.823(A) CA :: 56.144 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 :: 7.637 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 :: 114.043 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (C > CA : 1.0000) 1.A105 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.24 D 0.1 P 0.08 L 0.05 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 22.128(A) CA :: 51.844 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.039 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) 1.D106 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.3 N 0.24 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 Y 0.01 E 0.01 C Shift Assignments>> C :: 43.272(A) CA :: 52.927 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.781 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 :: 124.123 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) 1.E107 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.11 N 0.09 M 0.09 H 0.07 A 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 Y 0.03 C Shift Assignments>> C :: 34.059(A) CA :: 54.708 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.943 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.150 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) 1.V108 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 P 0.2 T 0.19 I 0.15 S 0.14 C 0.04 Y 0.01 W 0.01 C Shift Assignments>> C :: 32.409(A) CA :: 62.926 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 :: 8.713 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.779 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) 1.I109 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 C 0.1 S 0.06 Y 0.06 W 0.04 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 38.361(A) CA :: 61.166 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 :: 8.484 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 :: 130.541 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) 1.E110 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.12 C 0.12 W 0.11 S 0.09 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 32.081(A) CA :: 58.072 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.075 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 :: 128.503 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) ########################################################################### Overall Results: #Consistent: 12 #Clerical: 0 #Suspicious: 0 #Anomalous: 98 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 26 #Suspicious: 84 C Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 98 H Shift Results: #Consistent: 102 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 N Shift Results: #Consistent: 102 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 34.088(A), Expected = 176.18, Std = 2.0900, ChiSquare = 0.0000e+00 1.M1 SRO Rule Break>> C > CA : 1 1.S2 C = 65.043(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.A3 C = 20.926(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A3 SRO Rule Break>> C > CA : 0.999579478553406 1.L4 C = 43.819(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L4 CA = 48.445(S), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5566e-04 1.L4 SRO Rule Break>> C > CA : 1 1.T5 C = 69.701(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.L6 C = 43.545(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L6 SRO Rule Break>> C > CA : 1 1.D7 C = 44.973(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D7 SRO Rule Break>> C > CA : 1 1.H8 C = 32.088(A), Expected = 175.25, Std = 1.9700, ChiSquare = 0.0000e+00 1.H8 SRO Rule Break>> C > CA : 1 1.S9 C = 65.217(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.A11 C = 16.709(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A11 SRO Rule Break>> C > CA : 0.999579478553406 1.Y12 C = 39.381(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y12 SRO Rule Break>> C > CA : 1 1.V13 C = 32.525(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V13 SRO Rule Break>> C > CA : 1 1.A14 C = 23.032(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A14 SRO Rule Break>> C > CA : 0.999579478553406 1.K15 C = 36.914(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K15 SRO Rule Break>> C > CA : 1 1.Y16 C = 42.895(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y16 SRO Rule Break>> C > CA : 1 1.N17 C = 42.042(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N17 SRO Rule Break>> C > CA : 1 1.I18 C = 39.679(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I18 SRO Rule Break>> C > CA : 1 1.T19 C = 72.936(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.W20 C = 29.311(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W20 SRO Rule Break>> C > CA : 1 1.E21 C = 34.850(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E21 SRO Rule Break>> C > CA : 1 1.E22 C = 34.545(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E22 SRO Rule Break>> C > CA : 1 1.V23 C = 31.786(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V23 SRO Rule Break>> C > CA : 1 1.S24 C = 65.241(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.Y25 C = 41.183(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y25 SRO Rule Break>> C > CA : 1 1.N26 C = 38.621(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N26 SRO Rule Break>> C > CA : 1 1.E27 C = 28.991(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E27 SRO Rule Break>> C > CA : 1 1.A28 C = 18.858(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A28 SRO Rule Break>> C > CA : 0.999579478553406 1.E30 C = 30.272(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E30 SRO Rule Break>> C > CA : 1 1.E31 C = 30.971(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E31 SRO Rule Break>> C > CA : 1 1.V32 C = 34.078(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V32 SRO Rule Break>> C > CA : 1 1.W33 C = 30.328(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W33 SRO Rule Break>> C > CA : 1 1.E34 C = 32.967(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E34 SRO Rule Break>> C > CA : 1 1.P35 C = 32.380(A), Expected = 176.75, Std = 1.5100, ChiSquare = 0.0000e+00 1.P35 SRO Rule Break>> C > CA : 1 1.K36 C = 34.414(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K36 SRO Rule Break>> C > CA : 1 1.A37 C = 22.541(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A37 SRO Rule Break>> C > CA : 0.999579478553406 1.W38 C = 29.234(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W38 SRO Rule Break>> C > CA : 1 1.D39 C = 39.963(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D39 SRO Rule Break>> C > CA : 1 1.K40 C = 29.538(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K40 H = 55.105(A), Expected = 8.19, Std = 0.6000, ChiSquare = 0.0000e+00 1.N41 C = 36.909(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N41 SRO Rule Break>> C > CA : 1 1.V43 C = 32.214(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V43 SRO Rule Break>> C > CA : 1 1.N44 C = 38.132(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N44 SRO Rule Break>> C > CA : 1 1.L45 C = 45.514(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L45 SRO Rule Break>> C > CA : 1 1.T46 C = 71.037(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.S47 C = 64.039(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.H48 C = 31.228(A), Expected = 175.25, Std = 1.9700, ChiSquare = 0.0000e+00 1.H48 SRO Rule Break>> C > CA : 1 1.W49 C = 32.917(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W49 SRO Rule Break>> C > CA : 1 1.S50 C = 65.281(A), Expected = 174.62, Std = 1.7200, ChiSquare = 0.0000e+00 1.E51 C = 35.528(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E51 SRO Rule Break>> C > CA : 1 1.T52 C = 70.379(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.I53 C = 40.592(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I53 SRO Rule Break>> C > CA : 1 1.Q54 C = 29.255(A), Expected = 176.31, Std = 1.9500, ChiSquare = 0.0000e+00 1.Q54 SRO Rule Break>> C > CA : 1 1.I55 C = 41.390(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I55 SRO Rule Break>> C > CA : 1 1.P56 C = 32.494(A), Expected = 176.75, Std = 1.5100, ChiSquare = 0.0000e+00 1.P56 SRO Rule Break>> C > CA : 1 1.N58 C = 36.961(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N58 SRO Rule Break>> C > CA : 1 1.A59 C = 21.593(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A59 SRO Rule Break>> C > CA : 0.999579478553406 1.R60 C = 33.836(A), Expected = 176.41, Std = 2.0300, ChiSquare = 0.0000e+00 1.R60 SRO Rule Break>> C > CA : 1 1.N61 C = 36.042(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N61 SRO Rule Break>> C > CA : 1 1.L62 C = 41.186(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L62 SRO Rule Break>> C > CA : 1 1.H63 C = 31.633(A), Expected = 175.25, Std = 1.9700, ChiSquare = 0.0000e+00 1.H63 SRO Rule Break>> C > CA : 1 1.V64 C = 35.358(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V64 SRO Rule Break>> C > CA : 1 1.N65 C = 44.310(A), Expected = 175.27, Std = 1.7900, ChiSquare = 0.0000e+00 1.N65 SRO Rule Break>> C > CA : 1 1.I66 C = 41.142(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I66 SRO Rule Break>> C > CA : 1 1.Q67 C = 34.805(A), Expected = 176.31, Std = 1.9500, ChiSquare = 0.0000e+00 1.Q67 SRO Rule Break>> C > CA : 1 1.E68 C = 30.922(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E68 SRO Rule Break>> C > CA : 1 1.C69 C = 25.559(A), Expected = 174.95, Std = 2.0700, ChiSquare = 0.0000e+00 1.C69 SRO Rule Break>> C > CA : 1 1.T70 C = 69.483(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.L72 C = 40.832(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L72 SRO Rule Break>> C > CA : 1 1.A73 C = 18.525(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A73 SRO Rule Break>> C > CA : 0.999579478553406 1.W74 C = 28.115(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W74 SRO Rule Break>> C > CA : 1 1.E75 C = 29.333(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E75 SRO Rule Break>> C > CA : 1 1.W77 C = 31.552(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W77 SRO Rule Break>> C > CA : 1 1.R78 C = 33.836(A), Expected = 176.41, Std = 2.0300, ChiSquare = 0.0000e+00 1.R78 SRO Rule Break>> C > CA : 1 1.T79 C = 68.714(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.V80 C = 33.846(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V80 SRO Rule Break>> C > CA : 1 1.Y81 C = 42.899(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y81 SRO Rule Break>> C > CA : 1 1.D82 C = 43.207(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D82 SRO Rule Break>> C > CA : 1 1.K83 C = 37.631(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K83 SRO Rule Break>> C > CA : 1 1.D84 C = 41.556(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D84 SRO Rule Break>> C > CA : 1 1.L85 C = 46.833(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L85 SRO Rule Break>> C > CA : 1 1.P86 C = 32.077(A), Expected = 176.75, Std = 1.5100, ChiSquare = 0.0000e+00 1.P86 SRO Rule Break>> C > CA : 1 1.L87 C = 39.809(A), Expected = 176.99, Std = 1.9800, ChiSquare = 0.0000e+00 1.L87 SRO Rule Break>> C > CA : 1 1.V88 C = 33.253(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V88 SRO Rule Break>> C > CA : 1 1.Q90 C = 32.255(A), Expected = 176.31, Std = 1.9500, ChiSquare = 0.0000e+00 1.Q90 SRO Rule Break>> C > CA : 1 1.R91 C = 34.529(A), Expected = 176.41, Std = 2.0300, ChiSquare = 0.0000e+00 1.R91 SRO Rule Break>> C > CA : 1 1.K92 C = 36.061(A), Expected = 176.64, Std = 2.0000, ChiSquare = 0.0000e+00 1.K92 SRO Rule Break>> C > CA : 1 1.I93 C = 39.982(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I93 SRO Rule Break>> C > CA : 1 1.T94 C = 70.753(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.I95 C = 39.329(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I95 SRO Rule Break>> C > CA : 1 1.W96 C = 29.397(A), Expected = 176.12, Std = 2.0100, ChiSquare = 0.0000e+00 1.W96 SRO Rule Break>> C > CA : 1 1.T98 C = 72.186(A), Expected = 174.54, Std = 1.7600, ChiSquare = 0.0000e+00 1.Q103 C = 32.886(A), Expected = 176.31, Std = 1.9500, ChiSquare = 0.0000e+00 1.Q103 SRO Rule Break>> C > CA : 1 1.Y104 C = 42.823(A), Expected = 175.40, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y104 SRO Rule Break>> C > CA : 1 1.A105 C = 22.128(A), Expected = 177.74, Std = 2.1300, ChiSquare = 0.0000e+00 1.A105 SRO Rule Break>> C > CA : 0.999579478553406 1.D106 C = 43.272(A), Expected = 176.40, Std = 1.7500, ChiSquare = 0.0000e+00 1.D106 SRO Rule Break>> C > CA : 1 1.E107 C = 34.059(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E107 SRO Rule Break>> C > CA : 1 1.V108 C = 32.409(A), Expected = 175.62, Std = 1.9000, ChiSquare = 0.0000e+00 1.V108 SRO Rule Break>> C > CA : 1 1.I109 C = 38.361(A), Expected = 175.85, Std = 1.9200, ChiSquare = 0.0000e+00 1.I109 SRO Rule Break>> C > CA : 1 1.E110 C = 32.081(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E110 SRO Rule Break>> C > CA : 1