Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.15 H 0.15 M 0.13 C 0.12 W 0.11 E 0.1 K 0.1 Q 0.09 C Shift Assignments>> CA :: 55.71706373 CB :: 31.15564189 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>> HA :: 3.876150036 HB2 :: 1.974776843 HB3 :: 1.974776843 HG2 :: 2.220663549 HG3 :: 2.220663549 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.48 C 0.4 R 0.1 C Shift Assignments>> CA :: 56.26812528 CB :: 33.08549428 CG :: 24.57864383 CD :: 29.20332479 CE :: 42.14338148 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>> HA :: 4.327859877 HB2 :: 1.764941954 HB3 :: 1.764941954 HG2 :: 1.388374049 HG3 :: 1.388374049 HD2 :: 1.636838441 HD3 :: 1.636838441 HE2 :: 2.947348463 HE3 :: 2.947348463 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.23 A 0.06 G 0.05 K 0.04 C Shift Assignments>> CA :: 52.74259176 CB :: 42.48075697 CD1 :: 23.63927806 CD2 :: 26.40734059 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 :: 8.521287479 HA :: 4.566010051 HB2 :: 1.347906289 HB3 :: 1.747563117 HD11 :: 0.719942002 HD12 :: 0.719942002 HD13 :: 0.719942002 HD21 :: 0.9874856154 HD22 :: 0.9874856154 HD23 :: 0.9874856154 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 :: 124.9980454 Ave N Shift Values>> N :: 121.86(3.9) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.12 R 0.11 C Shift Assignments>> CB :: 29.75470758 CG :: 27.16582352 CD :: 50.5587622 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.764659446 HB2 :: 2.555211871 HB3 :: 1.944240981 HG2 :: 1.626083861 HG3 :: 1.753294342 HD2 :: 2.950796594 HD3 :: 3.632646675 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 64.29773758 CB :: 31.9698201 CG :: 27.7424874 CD :: 50.5322671 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.292437044 HB2 :: 1.804448255 HB3 :: 2.280031343 HG2 :: 1.988343736 HG3 :: 2.093804277 HD2 :: 3.574846006 HD3 :: 3.850241075 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.15425247 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.656056935 HA2 :: 3.313093372 HA3 :: 4.008490144 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3541473 Ave N Shift Values>> N :: 109.67(3.87) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.16 K 0.15 H 0.12 R 0.12 Q 0.08 W 0.06 E 0.04 C Shift Assignments>> CA :: 54.20600849 CB :: 32.39796425 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 :: 7.275927027 HA :: 5.196238032 HB2 :: 2.883878938 HB3 :: 3.164981209 HD1 :: 6.927848329 HE1 :: 10.4898884 HE3 :: 7.27234909 HZ2 :: 7.366199547 HZ3 :: 6.861509504 HH2 :: 6.883766588 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 :: 117.2612838 NE1 :: 129.3412305 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.37 Q 0.03 I 0.02 C Shift Assignments>> CB :: 31.94166946 CG :: 36.20517927 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 :: 9.685043719 HA :: 4.742040139 HB3 :: 2.139718579 HG2 :: 2.26902355 HG3 :: 2.355576591 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 :: 121.2630198 Ave N Shift Values>> N :: 120.67(3.48) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.42 R 0.03 C Shift Assignments>> CA :: 56.0473175 CB :: 33.97760811 CG :: 24.97950304 CE :: 41.93934595 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 :: 8.794285633 HA :: 4.324243533 HB2 :: 1.518620299 HB3 :: 1.679785048 HG2 :: 0.9812069542 HG3 :: 0.9812069542 HE2 :: 2.870522121 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.699092 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 R 0.29 K 0.25 G 0.06 C Shift Assignments>> CA :: 53.94351774 CB :: 33.85785306 CG :: 27.69720908 CD :: 42.90628474 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 :: 8.715900173 HA :: 4.286459733 HB2 :: -0.1657621974(S) HB3 :: 1.215852248 HG2 :: 1.021707646 HD2 :: 2.708844271 HD3 :: 2.882135808 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 :: 127.1033444 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.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 I 0.01 C Shift Assignments>> CB :: 34.27415535 CG :: 31.88249418 CE :: 16.63130005 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 :: 8.039121398 HA :: 4.838654923 HB3 :: 1.745548028 HG2 :: 2.212484129 HG3 :: 2.362534749 HE1 :: 1.922053056 HE2 :: 1.922053056 HE3 :: 1.922053056 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 :: 116.7869259 Ave N Shift Values>> N :: 120.09(3.57) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 P 0.22 V 0.18 T 0.15 I 0.12 C 0.02 C Shift Assignments>> CB :: 63.69780427 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.105160052 HA :: 4.957044312 HB2 :: 4.284859496 HB3 :: 4.284859496 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 :: 121.155034 Ave N Shift Values>> N :: 116.28(3.52) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.44 C 0.43 G 0.05 K 0.05 C Shift Assignments>> CA :: 58.43068055 CB :: 30.14887018 CG :: 26.8732926 CD :: 43.24660738 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>> HA :: 4.046999124 HB2 :: 1.914692628 HB3 :: 1.914692628 HG2 :: 1.78388476 HG3 :: 1.919442657 HD2 :: 3.228863088 HD3 :: 3.107270288 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) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 60.33127043 CB :: 63.36324575 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.297358524 HB2 :: 3.84590933 HB3 :: 3.84590933 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) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.36 T 0.22 I 0.15 S 0.14 P 0.08 C 0.03 C Shift Assignments>> CB :: 66.52603517 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.67617191 HB2 :: 3.749930951 HB3 :: 3.874668004 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) 1.G16 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 :: 46.54621827 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.898406395 HA2 :: 4.067801294 HA3 :: 3.861398475 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1126908 Ave N Shift Values>> N :: 109.67(3.87) 1.R17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.42 G 0.08 K 0.06 C Shift Assignments>> CA :: 55.9107666 CB :: 32.96657372 CG :: 26.96160052 CD :: 43.4424549 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 :: 7.419312918 HA :: 4.375123116 HB2 :: 1.65739402 HB3 :: 1.826857945 HG2 :: 1.621240556 HG3 :: 1.535066603 HD2 :: 2.152661992(S) HD3 :: 2.650828853 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.0340933 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.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 62.54245482 CB :: 32.95092532 CG1 :: 21.72334832 CG2 :: 21.69343669 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 :: 8.393531379 HA :: 4.592047444 HB :: 1.899427532 HG11 :: 0.7283919858 HG12 :: 0.7283919858 HG13 :: 0.7283919858 HG21 :: 0.9709523246 HG22 :: 0.9709523246 HG23 :: 0.9709523246 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 :: 124.4329747 Ave N Shift Values>> N :: 121.14(4.54) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.22 I 0.13 L 0.12 N 0.1 C 0.06 K 0.03 C Shift Assignments>> CB :: 40.47329859 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 :: 8.560972871 HA :: 4.915687914 HB2 :: 2.399572539 HB3 :: 2.841222973 HD1 :: 6.745639408 HD2 :: 6.745639408 HE1 :: 6.224284996 HE2 :: 6.224284996 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.9586949 Ave N Shift Values>> N :: 120.52(4.2) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 L 0.26 F 0.17 Y 0.11 I 0.05 C 0.05 N 0.03 R 0.02 C Shift Assignments>> CB :: 41.57275406 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 :: 8.952949749 HA :: 5.192296968 HB2 :: 2.811107946 HB3 :: 2.584566484 HD1 :: 6.738913352 HD2 :: 6.738913352 HE1 :: 6.67407511 HE2 :: 6.67407511 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 :: 116.6317773 Ave N Shift Values>> N :: 120.52(4.2) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.32 R 0.2 C 0.06 F 0.04 Y 0.02 C Shift Assignments>> CA :: 55.87701169 CB :: 44.45319344 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 :: 9.268229374 HA :: 5.530039849 HB2 :: 2.493559112 HB3 :: 2.861711024 HD1 :: 6.675100209 HD2 :: 6.675100209 HE1 :: 6.753253993 HE2 :: 6.753253993 HZ :: 7.096526895 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 :: 124.079004 Ave N Shift Values>> N :: 120.45(4.18) 1.N22 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.78 C 0.13 Y 0.02 F 0.02 L 0.01 M 0.01 C Shift Assignments>> CA :: 50.69207518 CB :: 37.96661844 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 :: 8.065652375 HA :: 4.266470365 HB2 :: 1.902061461 HB3 :: -0.763067824(A) HD21 :: 4.12434138(S) HD22 :: 6.431612582 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 :: 128.2725206 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD21 > HA : 0.9966) 1.H23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.15 E 0.15 C 0.14 R 0.13 H 0.13 Q 0.1 K 0.07 M 0.05 I 0.02 V 0.01 C Shift Assignments>> CA :: 57.99812974 CB :: 30.22232438 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.106201552 HA :: 3.976769652 HB2 :: 3.142872994 HB3 :: 3.055512422 HD2 :: 7.003432739 HE1 :: 7.843913876 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) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.8 C 0.19 C Shift Assignments>> CA :: 63.62556968 CB :: 37.27581302 CG1 :: 27.93918197 CG2 :: 17.00237477 CD1 :: 12.17394825 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 :: 8.248814374 HA :: 3.75626433 HB :: 1.906390713 HG12 :: 1.232904316 HG13 :: 0.898090961 HG21 :: 0.7012434049 HG22 :: 0.7012434049 HG23 :: 0.7012434049 HD11 :: 0.6504161497 HD12 :: 0.6504161497 HD13 :: 0.6504161497 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) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.23727374 CB :: 69.89064451 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 :: 7.227709903 HA :: 4.008544429 HB :: 4.153215792 HG21 :: 0.8527565295 HG22 :: 0.8527565295 HG23 :: 0.8527565295 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.5153662 Ave N Shift Values>> N :: 115.42(4.75) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.34 C 0.18 Y 0.16 F 0.13 E 0.07 M 0.03 L 0.03 I 0.01 C Shift Assignments>> CA :: 54.86264378 CB :: 37.93722574 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 :: 7.924960378 HA :: 4.052510623 HB2 :: 2.726936438 HB3 :: 3.158918263 HD21 :: 6.731950952 HD22 :: 7.371253659 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) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.09 C 0.05 M 0.01 C Shift Assignments>> CA :: 52.00076077 CB :: 21.07038144 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.881767882 HA :: 4.346265457 HB1 :: 1.111153106 HB2 :: 1.111153106 HB3 :: 1.111153106 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1077523 Ave N Shift Values>> N :: 123.23(3.54) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> CA :: 56.29263745 CB :: 66.8410168 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.009519866 HA :: 5.635577214 HB2 :: 3.223532146 HB3 :: 3.407176742 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 :: 113.0349505 Ave N Shift Values>> N :: 116.28(3.52) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.9 Q 0.06 K 0.03 C Shift Assignments>> CB :: 32.03918076 CG :: 31.77727218 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 :: 9.375331782 HA :: 4.846914222 HB2 :: 2.18025381 HB3 :: 2.365985423 HG2 :: 2.656766917 HE21 :: 6.581945981 HE22 :: 7.423085877 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 :: 119.2995604 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.14 H 0.13 W 0.11 E 0.1 P 0.07 M 0.07 Q 0.06 V 0.05 K 0.05 C Shift Assignments>> CB :: 30.93442823 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 :: 8.538988737 HA :: 4.915310191 HB2 :: 3.095838044 HB3 :: 3.498375374 HD1 :: 7.376838712 HE1 :: 9.887746127 HE3 :: 8.209900995 HZ2 :: 7.125697443 HZ3 :: 6.844861611 HH2 :: 7.020964499 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 :: 120.754831 NE1 :: 128.5062206 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.09 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> CA :: 56.30514562 CB :: 30.22967529 CG :: 36.35789108 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 :: 8.042947051 HA :: 4.266609218 HB2 :: 1.845670239 HB3 :: 1.845670239 HG3 :: 2.259451802 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 :: 116.2051309 Ave N Shift Values>> N :: 120.67(3.48) 1.R32 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.54 C 0.28 G 0.11 K 0.03 L 0.01 C Shift Assignments>> CA :: 54.1619117 CB :: 29.96974604 CG :: 26.94404619 CD :: 43.51925313 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 :: 8.359904502 HA :: 2.600444633(S) HB2 :: 1.287212769 HG2 :: 0.8495815195 HG3 :: 1.12894138 HD2 :: 2.940352537 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 :: 124.8670472 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>> (HA > HD2 : 0.9912) 1.P33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> CA :: 61.99734004 CB :: 31.30701461 CG :: 25.65113608 CD :: 49.99452753 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.797120186 HB2 :: 0.6281378158(S) HB3 :: 0.7880511398(S) HG2 :: -0.2241985448(S) HG3 :: 0.4424514301(S) HD2 :: 2.347140713(S) HD3 :: 2.191255016(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.69307231 CB :: 64.58357878 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.032876065 HA :: 4.247627954 HB2 :: 3.644805717 HB3 :: 3.725980321 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.0250934 Ave N Shift Values>> N :: 116.28(3.52) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.24102783 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.378545605 HA2 :: 3.90075314 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.899814 Ave N Shift Values>> N :: 109.67(3.87) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.27 F 0.21 I 0.2 N 0.19 C 0.07 L 0.03 C Shift Assignments>> CB :: 39.33071785 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 :: 8.319436056 HA :: 4.742256695 HB2 :: 2.647841658 HB3 :: 2.792621929 HD21 :: 6.835003055 HD22 :: 7.536043361 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) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.19151337 CB :: 64.84734656 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.86145773 HA :: 4.197172565 HB2 :: 3.777399942 HB3 :: 3.777399942 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) 2.ACE1 Overall Status: Residue type ACE not supported. 2.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.23225221 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.286548959 HA2 :: 3.897564931 HA3 :: 3.897564931 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.5153324 Ave N Shift Values>> N :: 109.67(3.87) 2.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 V 0.22 T 0.17 P 0.17 I 0.12 C 0.02 C Shift Assignments>> CB :: 64.90945182 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.80863987 HB2 :: 3.824167378 HB3 :: 3.857763047 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 :: 125.765748 Ave N Shift Values>> N :: 116.28(3.52) 2.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 A 0.16 N 0.09 C 0.01 L 0.01 M 0.01 C Shift Assignments>> CD :: 50.60450363 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.648118573 HB3 :: 1.560833224 HG2 :: 1.635240243 HG3 :: 1.467984678 HD2 :: 3.478969344 HD3 :: 3.568468447 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.25 K 0.22 F 0.19 Y 0.13 I 0.06 C 0.05 N 0.04 R 0.01 C Shift Assignments>> CB :: 41.42150778 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 :: 7.931468612 HA :: 4.530741622 HB2 :: 2.901651715 HB3 :: 2.988383632 HD1 :: 7.019454915 HD2 :: 7.019454915 HE1 :: 6.740040027 HE2 :: 6.740040027 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) 2.SEP6 Overall Status: Residue type SEP not supported. 2.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.52 C 0.26 P 0.1 I 0.05 K 0.01 W 0.01 C Shift Assignments>> CA :: 62.95627401 CB :: 34.13065216 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.094526043 HB3 :: 1.933709745 HG2 :: 1.4995464 HG3 :: 1.379762251 HD2 :: 3.734664917 HD3 :: 3.636281517 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.26 I 0.26 Y 0.2 F 0.14 C 0.08 L 0.01 C Shift Assignments>> CB :: 38.66571753 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 :: 8.131328494 HA :: 4.777031208 HB2 :: 2.918226455 HB3 :: 3.100348185 HD1 :: 7.286603423 HD2 :: 7.286603423 HE1 :: 7.212394254 HE2 :: 7.212394254 HZ :: 7.175088328 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) 2.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.95 P 0.04 C Shift Assignments>> CA :: 63.43030903 CB :: 35.71328563 CD :: 50.66128681 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.391591573 HB3 :: 2.212568307 HG2 :: 1.914829403 HD2 :: 3.746432229 HD3 :: 3.39009697 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.32 C 0.25 Y 0.11 M 0.09 F 0.06 K 0.04 I 0.04 N 0.02 Q 0.02 C Shift Assignments>> CA :: 57.02689962 CG :: 36.37058688 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 :: 8.513170737 HA :: 4.196999853 HB2 :: 1.901609602 HB3 :: 1.995385817 HG3 :: 2.229248387 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) 2.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.07829782 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.396061343 HA2 :: 3.849295605 HA3 :: 3.849295605 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.NH212 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 41 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 46 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 44 #Suspicious: 2 C Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 272 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 28 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R10 HB2 = -0.1657621974(S), Expected = 1.79, Std = 0.2700, ChiSquare = 4.3705e-13 1.R17 HD2 = 2.152661992(S), Expected = 3.12, Std = 0.2400, ChiSquare = 5.5641e-05 1.N22 HB3 = -0.763067824(A), Expected = 2.75, Std = 0.3300, ChiSquare = 1.8268e-26 1.N22 HD21 = 4.12434138(S), Expected = 7.35, Std = 0.4800, ChiSquare = 1.8157e-11 1.N22 SRO Rule Break>> HD21 > HA : 0.996566944580677 1.R32 HA = 2.600444633(S), Expected = 4.30, Std = 0.4600, ChiSquare = 2.2016e-04 1.R32 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.P33 HB2 = 0.6281378158(S), Expected = 2.08, Std = 0.3500, ChiSquare = 3.3513e-05 1.P33 HB3 = 0.7880511398(S), Expected = 2.00, Std = 0.3600, ChiSquare = 7.6122e-04 1.P33 HG2 = -0.2241985448(S), Expected = 1.93, Std = 0.3100, ChiSquare = 3.6781e-12 1.P33 HG3 = 0.4424514301(S), Expected = 1.90, Std = 0.3300, ChiSquare = 1.0017e-05 1.P33 HD2 = 2.347140713(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.9729e-04 1.P33 HD3 = 2.191255016(S), Expected = 3.61, Std = 0.3900, ChiSquare = 2.7497e-04